1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine

C12H18ClNO — CID 114978300

IUPAC1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(Cl)cc1OC)C(C)C
InChIInChI=1S/C12H18ClNO/c1-8(2)12(14-3)10-6-5-9(13)7-11(10)15-4/h5-8,12,14H,1-4H3
InChIKeyKRWXFVPWZCOGNO-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine

1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine (PubChem CID 114978300) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
PubChem CID114978300
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(Cl)cc1OC)C(C)C
InChIInChI=1S/C12H18ClNO/c1-8(2)12(14-3)10-6-5-9(13)7-11(10)15-4/h5-8,12,14H,1-4H3
InChIKeyKRWXFVPWZCOGNO-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013762
1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 105000664
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
CID 43481972
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 115845267
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513966
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 43482752
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
1-(4-chloro-2-methoxyphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046921
1-(4-chloro-2-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62077826

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine (CID 114978300) is 1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine is CNC(c1ccc(Cl)cc1OC)C(C)C.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is KRWXFVPWZCOGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8(2)12(14-3)10-6-5-9(13)7-11(10)15-4/h5-8,12,14H,1-4H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine?
1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 114978300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).