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

C22H23Cl2NO2 — CID 17289767

IUPACN-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc(CNCc2ccccc2Cl)c1OCc1ccccc1.Cl
InChIInChI=1S/C22H22ClNO2.ClH/c1-25-21-13-7-11-19(15-24-14-18-10-5-6-12-20(18)23)22(21)26-16-17-8-3-2-4-9-17;/h2-13,24H,14-16H2,1H3;1H
InChIKeyYLPGIOGGCQXFTQ-UHFFFAOYSA-N
MW404.34 g/mol
LogP5.64
Rot. Bonds8

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

N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride (PubChem CID 17289767) has the molecular formula C22H23Cl2NO2 and a molecular weight of 404.34 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
PubChem CID17289767
Molecular FormulaC22H23Cl2NO2
Molecular Weight404.34 g/mol
Exact Mass403.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc(CNCc2ccccc2Cl)c1OCc1ccccc1.Cl
InChIInChI=1S/C22H22ClNO2.ClH/c1-25-21-13-7-11-19(15-24-14-18-10-5-6-12-20(18)23)22(21)26-16-17-8-3-2-4-9-17;/h2-13,24H,14-16H2,1H3;1H
InChIKeyYLPGIOGGCQXFTQ-UHFFFAOYSA-N
XLogP5.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.34
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methoxyethoxy)phenyl]methanamine
CID 54849158
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724093
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208311
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6459446
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211113

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride (CID 17289767) is N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride is COc1cccc(CNCc2ccccc2Cl)c1OCc1ccccc1.Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride?
The InChIKey is YLPGIOGGCQXFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2.ClH/c1-25-21-13-7-11-19(15-24-14-18-10-5-6-12-20(18)23)22(21)26-16-17-8-3-2-4-9-17;/h2-13,24H,14-16H2,1H3;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride?
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride has a molecular weight of 404.34 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 17289767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).