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

C9H12ClNO — CID 20709330

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

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

1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 20709330) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID20709330
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-11-6-7-3-4-9(12-2)8(10)5-7/h3-5,11H,6H2,1-2H3
InChIKeyUYQLOFIATPMQGW-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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Related Compounds

1-(4-methoxyphenyl)-N-methylmethanamine
CID 485407
[3-(3-Chloro-4-octyloxy-benzylamino)-propyl]-phosphonic acid
CID 10126584
1-(4-Butoxy-3-chlorobenzyl)guanidine
CID 540364
2-[(3-Chloro-4-methoxyphenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 12224379
(3-Chloro-4-methoxy-benzyl)-diethyl-amine
CID 16682230
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 9549741
1-Carbamimidamido-N-[(3-chloro-4-ethoxyphenyl)methyl]methanimidamide hydrochloride
CID 11957305
6-chloro-7-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 44451393
Benzenemethanamine, N-ethyl-4-methoxy-
CID 296018
Ethyl((4-methoxyphenyl)methyl)amine hydrochloride
CID 458501
[(4-Methoxyphenyl)methyl](methyl)amine hydrochloride
CID 17292353
3-Chloro-4-(1-methylethoxy)benzenemethanamine
CID 12224369

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine (CID 20709330) is 1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine is CNCc1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is UYQLOFIATPMQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-11-6-7-3-4-9(12-2)8(10)5-7/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine?
1-(3-chloro-4-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-(3-chloro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 20709330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).