N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine

C21H20ClNO — CID 4717903

IUPACN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C21H20ClNO/c1-2-13-23-14-19-18-9-5-3-7-16(18)11-12-21(19)24-15-17-8-4-6-10-20(17)22/h2-12,23H,1,13-15H2
InChIKeyUKSWHGDLELNEFF-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.35
Rot. Bonds7

About N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine

N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine (PubChem CID 4717903) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine
PubChem CID4717903
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C21H20ClNO/c1-2-13-23-14-19-18-9-5-3-7-16(18)11-12-21(19)24-15-17-8-4-6-10-20(17)22/h2-12,23H,1,13-15H2
InChIKeyUKSWHGDLELNEFF-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724097
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207194
2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155181
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17289773
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 17210034
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849945
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291687
1-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54849395

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine (CID 4717903) is N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine is C=CCNCc1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is UKSWHGDLELNEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c1-2-13-23-14-19-18-9-5-3-7-16(18)11-12-21(19)24-15-17-8-4-6-10-20(17)22/h2-12,23H,1,13-15H2.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine?
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 337.85 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 4717903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).