(3-propan-2-ylphenyl)methanamine

C10H15N — CID 21085835

IUPAC(3-propan-2-ylphenyl)methanamine
SMILESCC(C)c1cccc(CN)c1
InChIInChI=1S/C10H15N/c1-8(2)10-5-3-4-9(6-10)7-11/h3-6,8H,7,11H2,1-2H3
InChIKeyUMGGFLATENTNHY-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.27
Rot. Bonds2

About (3-propan-2-ylphenyl)methanamine

(3-propan-2-ylphenyl)methanamine (PubChem CID 21085835) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-propan-2-ylphenyl)methanamine
PubChem CID21085835
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3-propan-2-ylphenyl)methanamine
SMILESCC(C)c1cccc(CN)c1
InChIInChI=1S/C10H15N/c1-8(2)10-5-3-4-9(6-10)7-11/h3-6,8H,7,11H2,1-2H3
InChIKeyUMGGFLATENTNHY-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115018814
1-[3-(aminomethyl)phenyl]ethanesulfonamide
CID 91356292
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572
4-[(3-propan-2-ylphenyl)methyl]aniline
CID 123873947
1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
CID 177118676
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
1-(methylsulfanylmethyl)-3-propan-2-ylbenzene
CID 91388847
1-(hydroperoxymethyl)-3-propan-2-ylbenzene
CID 86217956
1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 116907106
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylphenyl)methanamine?
The IUPAC name of (3-propan-2-ylphenyl)methanamine (CID 21085835) is (3-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (3-propan-2-ylphenyl)methanamine?
The canonical SMILES for (3-propan-2-ylphenyl)methanamine is CC(C)c1cccc(CN)c1.
What is the InChIKey of (3-propan-2-ylphenyl)methanamine?
The InChIKey is UMGGFLATENTNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)10-5-3-4-9(6-10)7-11/h3-6,8H,7,11H2,1-2H3.
What are the key properties of (3-propan-2-ylphenyl)methanamine?
(3-propan-2-ylphenyl)methanamine has a molecular weight of 149.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 21085835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).