2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine

C12H18ClNO — CID 82081284

IUPAC2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-12(2,8-14-3)9-5-6-11(15-4)10(13)7-9/h5-7,14H,8H2,1-4H3
InChIKeyCUXORSQRCRECOZ-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.85
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine

2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine (PubChem CID 82081284) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
PubChem CID82081284
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-12(2,8-14-3)9-5-6-11(15-4)10(13)7-9/h5-7,14H,8H2,1-4H3
InChIKeyCUXORSQRCRECOZ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(bromomethyl)-2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-amine
CID 115262519
2-[[2-(3-chloro-4-methoxyphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131477
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
2-(3-chloro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83703366
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
2-(3-chloro-4-methoxyphenyl)-2-methylpropanenitrile
CID 82077904
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227470
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 105425938
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide
CID 115191439
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60607351

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine (CID 82081284) is 2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is CUXORSQRCRECOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,8-14-3)9-5-6-11(15-4)10(13)7-9/h5-7,14H,8H2,1-4H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine?
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 82081284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).