1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride

C23H25Cl2NO3 — CID 17208009

IUPAC1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1cccc(OC)c1OCc1ccccc1Cl.Cl
InChIInChI=1S/C23H24ClNO3.ClH/c1-26-21-12-6-4-8-17(21)14-25-15-18-10-7-13-22(27-2)23(18)28-16-19-9-3-5-11-20(19)24;/h3-13,25H,14-16H2,1-2H3;1H
InChIKeyWESBCUYAGFFQJO-UHFFFAOYSA-N
MW434.36 g/mol
LogP5.65
Rot. Bonds9

About 1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride

1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride (PubChem CID 17208009) has the molecular formula C23H25Cl2NO3 and a molecular weight of 434.36 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
PubChem CID17208009
Molecular FormulaC23H25Cl2NO3
Molecular Weight434.36 g/mol
Exact Mass433.12
IUPAC Name1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1cccc(OC)c1OCc1ccccc1Cl.Cl
InChIInChI=1S/C23H24ClNO3.ClH/c1-26-21-12-6-4-8-17(21)14-25-15-18-10-7-13-22(27-2)23(18)28-16-19-9-3-5-11-20(19)24;/h3-13,25H,14-16H2,1-2H3;1H
InChIKeyWESBCUYAGFFQJO-UHFFFAOYSA-N
XLogP5.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.36
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291687
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724093
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331643
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17206090
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211541
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methoxyethoxy)phenyl]methanamine
CID 54849158
N-[[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952900
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211113

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride (CID 17208009) is 1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride is COc1ccccc1CNCc1cccc(OC)c1OCc1ccccc1Cl.Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
The InChIKey is WESBCUYAGFFQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3.ClH/c1-26-21-12-6-4-8-17(21)14-25-15-18-10-7-13-22(27-2)23(18)28-16-19-9-3-5-11-20(19)24;/h3-13,25H,14-16H2,1-2H3;1H.
What are the key properties of 1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride has a molecular weight of 434.36 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 17208009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).