(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine

C12H18ClNO — CID 130039782

IUPAC(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(Cl)cc1[C@H](N)C(C)(C)C
InChIInChI=1S/C12H18ClNO/c1-12(2,3)11(14)9-7-8(13)5-6-10(9)15-4/h5-7,11H,14H2,1-4H3/t11-/m0/s1
InChIKeyWKYFWRNSSFTVHN-NSHDSACASA-N
MW227.73 g/mol
LogP3.39
Rot. Bonds2

About (1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine

(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 130039782) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
PubChem CID130039782
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(Cl)cc1[C@H](N)C(C)(C)C
InChIInChI=1S/C12H18ClNO/c1-12(2,3)11(14)9-7-8(13)5-6-10(9)15-4/h5-7,11H,14H2,1-4H3/t11-/m0/s1
InChIKeyWKYFWRNSSFTVHN-NSHDSACASA-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

1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171244642
1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine
CID 116726239
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171271304
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine (CID 130039782) is (1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine is COc1ccc(Cl)cc1[C@H](N)C(C)(C)C.
What is the InChIKey of (1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is WKYFWRNSSFTVHN-NSHDSACASA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)11(14)9-7-8(13)5-6-10(9)15-4/h5-7,11H,14H2,1-4H3/t11-/m0/s1.
What are the key properties of (1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
(1R)-1-(5-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 (1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130039782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).