3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine

C19H23N — CID 115328287

IUPAC3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
SMILESC=C(CNCCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N/c1-16(18-9-5-3-6-10-18)13-14-20-15-17(2)19-11-7-4-8-12-19/h3-12,16,20H,2,13-15H2,1H3
InChIKeyFIVJECNSSLBLIO-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.48
Rot. Bonds7

About 3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine

3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine (PubChem CID 115328287) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
PubChem CID115328287
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
SMILESC=C(CNCCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N/c1-16(18-9-5-3-6-10-18)13-14-20-15-17(2)19-11-7-4-8-12-19/h3-12,16,20H,2,13-15H2,1H3
InChIKeyFIVJECNSSLBLIO-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.48
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

3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
CID 107814964
N-(3-phenylbutyl)benzamide
CID 62403316
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
CID 113288084
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
6-(2-phenylprop-2-enylamino)hexan-1-ol
CID 107851678
N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
CID 113288145
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
CID 113288141
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine
CID 107095208
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine?
The IUPAC name of 3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine (CID 115328287) is 3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine.
What is the SMILES notation for 3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine?
The canonical SMILES for 3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine is C=C(CNCCC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine?
The InChIKey is FIVJECNSSLBLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-16(18-9-5-3-6-10-18)13-14-20-15-17(2)19-11-7-4-8-12-19/h3-12,16,20H,2,13-15H2,1H3.
What are the key properties of 3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine?
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine is sourced from PubChem (CID 115328287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).