N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine

C17H20ClNO2 — CID 4716490

IUPACN-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-3-19-11-13-8-9-16(17(10-13)20-2)21-12-14-6-4-5-7-15(14)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyGLIUCQHZTAMCTE-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.04
Rot. Bonds7

About N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine

N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine (PubChem CID 4716490) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
PubChem CID4716490
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-3-19-11-13-8-9-16(17(10-13)20-2)21-12-14-6-4-5-7-15(14)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyGLIUCQHZTAMCTE-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162172
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210404
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290516
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17292583
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716133
N'-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215470
N-[(2-chlorophenyl)methyl]-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine;hydrochloride
CID 17289780
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209578
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 17289276
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17293750
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294662

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine (CID 4716490) is N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine is CCNCc1ccc(OCc2ccccc2Cl)c(OC)c1.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The InChIKey is GLIUCQHZTAMCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-19-11-13-8-9-16(17(10-13)20-2)21-12-14-6-4-5-7-15(14)18/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 4716490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).