[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine

C18H16ClNO — CID 43804629

IUPAC[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine
SMILESNCc1cccc(COc2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C18H16ClNO/c19-17-8-9-18(16-7-2-1-6-15(16)17)21-12-14-5-3-4-13(10-14)11-20/h1-10H,11-12,20H2
InChIKeyCUZDHMJHNWZVJH-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.53
Rot. Bonds4

About [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine

[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine (PubChem CID 43804629) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine
PubChem CID43804629
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine
SMILESNCc1cccc(COc2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C18H16ClNO/c19-17-8-9-18(16-7-2-1-6-15(16)17)21-12-14-5-3-4-13(10-14)11-20/h1-10H,11-12,20H2
InChIKeyCUZDHMJHNWZVJH-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine
CID 63480612
[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 107656486
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
3-[(4-chloronaphthalen-1-yl)oxymethyl]-5-fluoroaniline
CID 115980190
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815
4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
CID 107878057
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine (CID 43804629) is [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine is NCc1cccc(COc2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine?
The InChIKey is CUZDHMJHNWZVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-17-8-9-18(16-7-2-1-6-15(16)17)21-12-14-5-3-4-13(10-14)11-20/h1-10H,11-12,20H2.
What are the key properties of [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine?
[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine has a molecular weight of 297.79 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 43804629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).