[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine

C17H21ClN2O — CID 60921813

IUPAC[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
SMILESCOc1ccc(Cl)cc1CN(C)Cc1ccccc1CN
InChIInChI=1S/C17H21ClN2O/c1-20(11-14-6-4-3-5-13(14)10-19)12-15-9-16(18)7-8-17(15)21-2/h3-9H,10-12,19H2,1-2H3
InChIKeyAEOHYRIWJANOQZ-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.44
Rot. Bonds6

About [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine

[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine (PubChem CID 60921813) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
PubChem CID60921813
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
SMILESCOc1ccc(Cl)cc1CN(C)Cc1ccccc1CN
InChIInChI=1S/C17H21ClN2O/c1-20(11-14-6-4-3-5-13(14)10-19)12-15-9-16(18)7-8-17(15)21-2/h3-9H,10-12,19H2,1-2H3
InChIKeyAEOHYRIWJANOQZ-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

Analyze [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine with MolForge

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Related Compounds

[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750716
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951928
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604

Frequently Asked Questions

What is the IUPAC name of [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine?
The IUPAC name of [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine (CID 60921813) is [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine.
What is the SMILES notation for [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine?
The canonical SMILES for [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine is COc1ccc(Cl)cc1CN(C)Cc1ccccc1CN.
What is the InChIKey of [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine?
The InChIKey is AEOHYRIWJANOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-20(11-14-6-4-3-5-13(14)10-19)12-15-9-16(18)7-8-17(15)21-2/h3-9H,10-12,19H2,1-2H3.
What are the key properties of [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine?
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]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 [2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine is sourced from PubChem (CID 60921813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).