1-(2-chloro-5-methoxyphenyl)-N-methylethanamine

C10H14ClNO — CID 84733712

IUPAC1-(2-chloro-5-methoxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(OC)ccc1Cl
InChIInChI=1S/C10H14ClNO/c1-7(12-2)9-6-8(13-3)4-5-10(9)11/h4-7,12H,1-3H3
InChIKeySBMCVCARHJINGR-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-chloro-5-methoxyphenyl)-N-methylethanamine

1-(2-chloro-5-methoxyphenyl)-N-methylethanamine (PubChem CID 84733712) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)-N-methylethanamine
PubChem CID84733712
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(2-chloro-5-methoxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(OC)ccc1Cl
InChIInChI=1S/C10H14ClNO/c1-7(12-2)9-6-8(13-3)4-5-10(9)11/h4-7,12H,1-3H3
InChIKeySBMCVCARHJINGR-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
CID 43486339
1-(2-chloro-4-methoxyphenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43561902
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
1-(2,5-dichlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482843
5-chloro-2-methoxy-4-[(1R)-1-(methylamino)ethyl]phenol
CID 130664375
1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one
CID 131170136
1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
CID 82000203
1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309625
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)-N-methylethanamine (CID 84733712) is 1-(2-chloro-5-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)-N-methylethanamine is CNC(C)c1cc(OC)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)-N-methylethanamine?
The InChIKey is SBMCVCARHJINGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(12-2)9-6-8(13-3)4-5-10(9)11/h4-7,12H,1-3H3.
What are the key properties of 1-(2-chloro-5-methoxyphenyl)-N-methylethanamine?
1-(2-chloro-5-methoxyphenyl)-N-methylethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 84733712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).