1-phenyl-N-propan-2-ylbutan-1-amine

C13H21N — CID 43177244

IUPAC1-phenyl-N-propan-2-ylbutan-1-amine
SMILESCCCC(NC(C)C)c1ccccc1
InChIInChI=1S/C13H21N/c1-4-8-13(14-11(2)3)12-9-6-5-7-10-12/h5-7,9-11,13-14H,4,8H2,1-3H3
InChIKeyQADWGTJCAJYDTD-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.53
Rot. Bonds5

About 1-phenyl-N-propan-2-ylbutan-1-amine

1-phenyl-N-propan-2-ylbutan-1-amine (PubChem CID 43177244) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-phenyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-propan-2-ylbutan-1-amine
PubChem CID43177244
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-phenyl-N-propan-2-ylbutan-1-amine
SMILESCCCC(NC(C)C)c1ccccc1
InChIInChI=1S/C13H21N/c1-4-8-13(14-11(2)3)12-9-6-5-7-10-12/h5-7,9-11,13-14H,4,8H2,1-3H3
InChIKeyQADWGTJCAJYDTD-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
CID 102868679
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
2-(1-phenylbutylamino)propanamide
CID 43401102
4-(1-phenylbutylamino)pentanal
CID 174525536
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 1-phenyl-N-propan-2-ylbutan-1-amine (CID 43177244) is 1-phenyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 1-phenyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 1-phenyl-N-propan-2-ylbutan-1-amine is CCCC(NC(C)C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-propan-2-ylbutan-1-amine?
The InChIKey is QADWGTJCAJYDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-8-13(14-11(2)3)12-9-6-5-7-10-12/h5-7,9-11,13-14H,4,8H2,1-3H3.
What are the key properties of 1-phenyl-N-propan-2-ylbutan-1-amine?
1-phenyl-N-propan-2-ylbutan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 43177244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).