3-phenyl-N-propan-2-ylpropan-1-amine

C12H19N — CID 11412689

IUPAC3-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ccccc1
InChIInChI=1S/C12H19N/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3
InChIKeyAGDHSWAZTKYTNX-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.62
Rot. Bonds5

About 3-phenyl-N-propan-2-ylpropan-1-amine

3-phenyl-N-propan-2-ylpropan-1-amine (PubChem CID 11412689) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-phenyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-propan-2-ylpropan-1-amine
PubChem CID11412689
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ccccc1
InChIInChI=1S/C12H19N/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3
InChIKeyAGDHSWAZTKYTNX-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
N-benzyl-N'-propan-2-ylpropane-1,3-diamine
CID 61150632
3-(3-phenylpropylamino)butanenitrile
CID 60905257
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106060179
N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
CID 43101828
1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine
CID 106353921
4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine
CID 144590933
1-N,1-N,3-trimethyl-2-N-(3-phenylpropyl)butane-1,2-diamine
CID 54953976

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-phenyl-N-propan-2-ylpropan-1-amine (CID 11412689) is 3-phenyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-phenyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-phenyl-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1ccccc1.
What is the InChIKey of 3-phenyl-N-propan-2-ylpropan-1-amine?
The InChIKey is AGDHSWAZTKYTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3.
What are the key properties of 3-phenyl-N-propan-2-ylpropan-1-amine?
3-phenyl-N-propan-2-ylpropan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 11412689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).