[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine

C17H21ClN2O — CID 106785290

IUPAC[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN(C)Cc2cccc(Cl)c2)ccc1CN
InChIInChI=1S/C17H21ClN2O/c1-20(11-13-4-3-5-16(18)8-13)12-14-6-7-15(10-19)17(9-14)21-2/h3-9H,10-12,19H2,1-2H3
InChIKeyXCNXLMVJKQFRPG-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.44
Rot. Bonds6

About [4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine

[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine (PubChem CID 106785290) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is [4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
PubChem CID106785290
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN(C)Cc2cccc(Cl)c2)ccc1CN
InChIInChI=1S/C17H21ClN2O/c1-20(11-13-4-3-5-16(18)8-13)12-14-6-7-15(10-19)17(9-14)21-2/h3-9H,10-12,19H2,1-2H3
InChIKeyXCNXLMVJKQFRPG-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-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291
[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
CID 106785650
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 106785440
5-chloro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 62100733
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine (CID 106785290) is [4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine is COc1cc(CN(C)Cc2cccc(Cl)c2)ccc1CN.
What is the InChIKey of [4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
The InChIKey is XCNXLMVJKQFRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-20(11-13-4-3-5-16(18)8-13)12-14-6-7-15(10-19)17(9-14)21-2/h3-9H,10-12,19H2,1-2H3.
What are the key properties of [4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
[4-[[(3-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-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 106785290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).