1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine

C10H14ClNO — CID 83831691

IUPAC1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C)c(OC)c(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-7-4-8(6-12-2)5-9(11)10(7)13-3/h4-5,12H,6H2,1-3H3
InChIKeyCPBDPBBJKPAGRM-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.38
Rot. Bonds3

About 1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine

1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine (PubChem CID 83831691) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine
PubChem CID83831691
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C)c(OC)c(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-7-4-8(6-12-2)5-9(11)10(7)13-3/h4-5,12H,6H2,1-3H3
InChIKeyCPBDPBBJKPAGRM-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60878557
1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
CID 43276505
1-(3-chloro-5-methoxy-4-octoxyphenyl)-N-methylmethanamine
CID 43276494
6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702314
5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
CID 62227458
1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60879302
1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60878921
3-chloro-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 115215673
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 29224259

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine (CID 83831691) is 1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine is CNCc1cc(C)c(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine?
The InChIKey is CPBDPBBJKPAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-4-8(6-12-2)5-9(11)10(7)13-3/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine?
1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.38, 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-methoxy-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 83831691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).