1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine

C16H18ClNO — CID 54565431

IUPAC1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2ccccc2Cl)cc1CN(C)C
InChIInChI=1S/C16H18ClNO/c1-18(2)11-13-10-12(8-9-16(13)19-3)14-6-4-5-7-15(14)17/h4-10H,11H2,1-3H3
InChIKeyZTMHZSVNUGPODT-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.08
Rot. Bonds4

About 1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine

1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine (PubChem CID 54565431) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
PubChem CID54565431
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2ccccc2Cl)cc1CN(C)C
InChIInChI=1S/C16H18ClNO/c1-18(2)11-13-10-12(8-9-16(13)19-3)14-6-4-5-7-15(14)17/h4-10H,11H2,1-3H3
InChIKeyZTMHZSVNUGPODT-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224806
tert-butyl 4-chloro-3-[3-[(dimethylamino)methyl]-4-methoxyphenyl]indole-1-carboxylate
CID 167772312
2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
CID 82039087
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
CID 166398717
2-[5-(3-chloro-2-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670273
5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
CID 87737077
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
2-[5-(2-chloro-4-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670265
N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
CID 54912220
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine (CID 54565431) is 1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine is COc1ccc(-c2ccccc2Cl)cc1CN(C)C.
What is the InChIKey of 1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
The InChIKey is ZTMHZSVNUGPODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18(2)11-13-10-12(8-9-16(13)19-3)14-6-4-5-7-15(14)17/h4-10H,11H2,1-3H3.
What are the key properties of 1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 54565431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).