2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine

C14H23N — CID 4725253

IUPAC2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H23N/c1-11(2)9-15-10-13-5-7-14(8-6-13)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyWCSOUTBZACMSIO-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.56
Rot. Bonds5

About 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine

2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 4725253) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
PubChem CID4725253
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H23N/c1-11(2)9-15-10-13-5-7-14(8-6-13)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyWCSOUTBZACMSIO-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine
CID 115202512
2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65026294
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437435
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine (CID 4725253) is 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine is CC(C)CNCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is WCSOUTBZACMSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)9-15-10-13-5-7-14(8-6-13)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 4725253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).