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

C12H18ClNO — CID 112705535

IUPAC1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1cc(Cl)ccc1C(N)C(C)(C)C
InChIInChI=1S/C12H18ClNO/c1-12(2,3)11(14)9-6-5-8(13)7-10(9)15-4/h5-7,11H,14H2,1-4H3
InChIKeyFYJVYPPKWOWHCW-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.39
Rot. Bonds2

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

1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 112705535) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
PubChem CID112705535
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1cc(Cl)ccc1C(N)C(C)(C)C
InChIInChI=1S/C12H18ClNO/c1-12(2,3)11(14)9-6-5-8(13)7-10(9)15-4/h5-7,11H,14H2,1-4H3
InChIKeyFYJVYPPKWOWHCW-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705506
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 171246095
1-(4-chloro-2-methoxyphenyl)-2-methoxyethanamine
CID 112693324
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005589
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780
1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 114978300
1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine
CID 116726239
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
CID 131224816
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine (CID 112705535) is 1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine is COc1cc(Cl)ccc1C(N)C(C)(C)C.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is FYJVYPPKWOWHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)11(14)9-6-5-8(13)7-10(9)15-4/h5-7,11H,14H2,1-4H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 3.39, 2 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)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 112705535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).