1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine

C9H12ClNO — CID 77231236

IUPAC1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)c(OC)c1
InChIInChI=1S/C9H12ClNO/c1-11-6-7-3-4-8(10)9(5-7)12-2/h3-5,11H,6H2,1-2H3
InChIKeyKTTFMLZLKYSNHW-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.07
Rot. Bonds3

About 1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine

1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 77231236) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID77231236
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)c(OC)c1
InChIInChI=1S/C9H12ClNO/c1-11-6-7-3-4-8(10)9(5-7)12-2/h3-5,11H,6H2,1-2H3
InChIKeyKTTFMLZLKYSNHW-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine (CID 77231236) is 1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine is CNCc1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is KTTFMLZLKYSNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-11-6-7-3-4-8(10)9(5-7)12-2/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 185.65 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 77231236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).