1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine

C13H20ClNO — CID 116724174

IUPAC1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C13H20ClNO/c1-13(2,3)12(16-4)11(15)9-5-7-10(14)8-6-9/h5-8,11-12H,15H2,1-4H3
InChIKeyWQIXHADDJLITBK-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.40
Rot. Bonds3

About 1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine

1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 116724174) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID116724174
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C13H20ClNO/c1-13(2,3)12(16-4)11(15)9-5-7-10(14)8-6-9/h5-8,11-12H,15H2,1-4H3
InChIKeyWQIXHADDJLITBK-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 69494037
1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114194480
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724247
O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine
CID 126599884
1-(4-chlorophenyl)-1-methoxypropan-2-amine
CID 54594037
2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116724260
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309498
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867
(1S)-1-(4-chlorophenyl)-2,2-diethoxyethanamine
CID 162516854

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine (CID 116724174) is 1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine is COC(C(N)c1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is WQIXHADDJLITBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-13(2,3)12(16-4)11(15)9-5-7-10(14)8-6-9/h5-8,11-12H,15H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116724174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).