4-[(3-chlorophenyl)methoxy]naphthalen-1-amine

C17H14ClNO — CID 63690468

IUPAC4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
SMILESNc1ccc(OCc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C17H14ClNO/c18-13-5-3-4-12(10-13)11-20-17-9-8-16(19)14-6-1-2-7-15(14)17/h1-10H,11,19H2
InChIKeyHCHGOGUNDJMLJN-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.65
Rot. Bonds3

About 4-[(3-chlorophenyl)methoxy]naphthalen-1-amine

4-[(3-chlorophenyl)methoxy]naphthalen-1-amine (PubChem CID 63690468) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]naphthalen-1-amine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
PubChem CID63690468
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
SMILESNc1ccc(OCc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C17H14ClNO/c18-13-5-3-4-12(10-13)11-20-17-9-8-16(19)14-6-1-2-7-15(14)17/h1-10H,11,19H2
InChIKeyHCHGOGUNDJMLJN-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
CID 107878057
4-bromo-2-[(3-chlorophenyl)methoxy]aniline
CID 65342868
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene
CID 43505675
4-[(4-ethylphenyl)methoxy]naphthalen-1-amine
CID 63690640
4-[(3-chlorophenyl)methoxy]-3-iodoaniline
CID 66095443
[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine
CID 43804629
2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589158
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]naphthalen-1-amine?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]naphthalen-1-amine (CID 63690468) is 4-[(3-chlorophenyl)methoxy]naphthalen-1-amine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]naphthalen-1-amine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]naphthalen-1-amine is Nc1ccc(OCc2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]naphthalen-1-amine?
The InChIKey is HCHGOGUNDJMLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-13-5-3-4-12(10-13)11-20-17-9-8-16(19)14-6-1-2-7-15(14)17/h1-10H,11,19H2.
What are the key properties of 4-[(3-chlorophenyl)methoxy]naphthalen-1-amine?
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine has a molecular weight of 283.76 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]naphthalen-1-amine is sourced from PubChem (CID 63690468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).