[4-(3-methylbutan-2-yl)phenyl]methanamine

C12H19N — CID 115015008

IUPAC[4-(3-methylbutan-2-yl)phenyl]methanamine
SMILESCC(C)C(C)c1ccc(CN)cc1
InChIInChI=1S/C12H19N/c1-9(2)10(3)12-6-4-11(8-13)5-7-12/h4-7,9-10H,8,13H2,1-3H3
InChIKeyODNPLEDHNIMAFL-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.90
Rot. Bonds3

About [4-(3-methylbutan-2-yl)phenyl]methanamine

[4-(3-methylbutan-2-yl)phenyl]methanamine (PubChem CID 115015008) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is [4-(3-methylbutan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-methylbutan-2-yl)phenyl]methanamine
PubChem CID115015008
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name[4-(3-methylbutan-2-yl)phenyl]methanamine
SMILESCC(C)C(C)c1ccc(CN)cc1
InChIInChI=1S/C12H19N/c1-9(2)10(3)12-6-4-11(8-13)5-7-12/h4-7,9-10H,8,13H2,1-3H3
InChIKeyODNPLEDHNIMAFL-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(1-methoxy-2-methylpropyl)phenyl]methanamine
CID 102547360
1-[4-(aminomethyl)phenyl]-2,2-dimethylpropane-1-thiol
CID 87915713
1-[4-(aminomethyl)phenyl]-1-fluoro-3-methylbutan-2-one
CID 176742060
2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol
CID 169444062
[4-(1-pyrrol-1-ylethyl)phenyl]methanamine
CID 61032949
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
[4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine
CID 62268419
[4-(1-cycloheptylethyl)phenyl]methanamine
CID 115038542
1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol
CID 174775729
propan-2-yl 2-[4-(aminomethyl)phenyl]propanoate
CID 174916032

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutan-2-yl)phenyl]methanamine?
The IUPAC name of [4-(3-methylbutan-2-yl)phenyl]methanamine (CID 115015008) is [4-(3-methylbutan-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-methylbutan-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-methylbutan-2-yl)phenyl]methanamine is CC(C)C(C)c1ccc(CN)cc1.
What is the InChIKey of [4-(3-methylbutan-2-yl)phenyl]methanamine?
The InChIKey is ODNPLEDHNIMAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)10(3)12-6-4-11(8-13)5-7-12/h4-7,9-10H,8,13H2,1-3H3.
What are the key properties of [4-(3-methylbutan-2-yl)phenyl]methanamine?
[4-(3-methylbutan-2-yl)phenyl]methanamine has a molecular weight of 177.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutan-2-yl)phenyl]methanamine is sourced from PubChem (CID 115015008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).