N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine

C26H23ClN2O2 — CID 29148458

IUPACN-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C26H23ClN2O2/c1-30-25-13-7-4-9-20(25)16-28-29-17-23-22-11-5-2-8-19(22)14-15-26(23)31-18-21-10-3-6-12-24(21)27/h2-15,17,28H,16,18H2,1H3/b29-17-
InChIKeyHWHOHGZFKAIJIL-RHANQZHGSA-N
MW430.94 g/mol
LogP6.20
Rot. Bonds8

About N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine

N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine (PubChem CID 29148458) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
PubChem CID29148458
Molecular FormulaC26H23ClN2O2
Molecular Weight430.94 g/mol
Exact Mass430.14
IUPAC NameN-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C26H23ClN2O2/c1-30-25-13-7-4-9-20(25)16-28-29-17-23-22-11-5-2-8-19(22)14-15-26(23)31-18-21-10-3-6-12-24(21)27/h2-15,17,28H,16,18H2,1H3/b29-17-
InChIKeyHWHOHGZFKAIJIL-RHANQZHGSA-N
XLogP6.20
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 17246062
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147439
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169261
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
CID 94844311
1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-ethylthiourea
CID 3548959
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207194
N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 17384637
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]methanamine
CID 92658541
N-[(E)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245610
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245617

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine (CID 29148458) is N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CN/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The InChIKey is HWHOHGZFKAIJIL-RHANQZHGSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c1-30-25-13-7-4-9-20(25)16-28-29-17-23-22-11-5-2-8-19(22)14-15-26(23)31-18-21-10-3-6-12-24(21)27/h2-15,17,28H,16,18H2,1H3/b29-17-.
What are the key properties of N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine has a molecular weight of 430.94 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 29148458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).