[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine

C17H21ClN2O — CID 106785291

IUPAC[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN(C)Cc2ccccc2Cl)ccc1CN
InChIInChI=1S/C17H21ClN2O/c1-20(12-15-5-3-4-6-16(15)18)11-13-7-8-14(10-19)17(9-13)21-2/h3-9H,10-12,19H2,1-2H3
InChIKeyVWKCDUQRKWHESO-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.44
Rot. Bonds6

About [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine

[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine (PubChem CID 106785291) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
PubChem CID106785291
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN(C)Cc2ccccc2Cl)ccc1CN
InChIInChI=1S/C17H21ClN2O/c1-20(12-15-5-3-4-6-16(15)18)11-13-7-8-14(10-19)17(9-13)21-2/h3-9H,10-12,19H2,1-2H3
InChIKeyVWKCDUQRKWHESO-UHFFFAOYSA-N
XLogP3.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478646
2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 61420544
[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
CID 106785650
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine (CID 106785291) is [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine is COc1cc(CN(C)Cc2ccccc2Cl)ccc1CN.
What is the InChIKey of [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
The InChIKey is VWKCDUQRKWHESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-20(12-15-5-3-4-6-16(15)18)11-13-7-8-14(10-19)17(9-13)21-2/h3-9H,10-12,19H2,1-2H3.
What are the key properties of [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine has a molecular weight of 304.82 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 106785291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).