(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine

C12H19NO — CID 171200898

IUPAC(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO/c1-4-9(2)12(13)10-5-7-11(14-3)8-6-10/h5-9,12H,4,13H2,1-3H3/t9?,12-/m1/s1
InChIKeyGKEWDUUUPCZBHC-FFFFSGIJSA-N
MW193.29 g/mol
LogP2.74
Rot. Bonds4

About (1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine

(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine (PubChem CID 171200898) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
PubChem CID171200898
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO/c1-4-9(2)12(13)10-5-7-11(14-3)8-6-10/h5-9,12H,4,13H2,1-3H3/t9?,12-/m1/s1
InChIKeyGKEWDUUUPCZBHC-FFFFSGIJSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116933980
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
(1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171199679
(1S)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171219207
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 43184137
1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 141467393
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine (CID 171200898) is (1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1ccc(OC)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is GKEWDUUUPCZBHC-FFFFSGIJSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-9(2)12(13)10-5-7-11(14-3)8-6-10/h5-9,12H,4,13H2,1-3H3/t9?,12-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine?
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 171200898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).