3-(4-phenylphenyl)-N-propylbut-2-en-1-amine

C19H23N — CID 57040911

IUPAC3-(4-phenylphenyl)-N-propylbut-2-en-1-amine
SMILESCCCNCC=C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23N/c1-3-14-20-15-13-16(2)17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-13,20H,3,14-15H2,1-2H3
InChIKeyKNMBLMJDDAOJHY-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.76
Rot. Bonds6

About 3-(4-phenylphenyl)-N-propylbut-2-en-1-amine

3-(4-phenylphenyl)-N-propylbut-2-en-1-amine (PubChem CID 57040911) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-N-propylbut-2-en-1-amine.

Molecular Properties

Compound Name3-(4-phenylphenyl)-N-propylbut-2-en-1-amine
PubChem CID57040911
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-(4-phenylphenyl)-N-propylbut-2-en-1-amine
SMILESCCCNCC=C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23N/c1-3-14-20-15-13-16(2)17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-13,20H,3,14-15H2,1-2H3
InChIKeyKNMBLMJDDAOJHY-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.76
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

(E)-5-(4-phenylphenyl)hex-4-en-1-amine
CID 95462396
(Z)-3-(4-phenylphenyl)but-2-enal
CID 20528564
N-[1-(4-phenylphenyl)ethenyl]propan-1-amine
CID 143032131
1-(1-fluoroprop-1-en-2-yl)-4-phenylbenzene
CID 134863084
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
3-methyl-N-propylbut-2-en-1-amine
CID 55206819
chloro 3-[[(E)-3-[4-(3-phenylpropyl)phenyl]but-2-enyl]amino]propanoate
CID 142758004
2-(4-phenylphenyl)-4-(propylamino)butan-2-ol
CID 57002234
2-methyl-2-[4-[3-(4-phenylphenyl)but-2-enoxy]phenoxy]pentanoic acid
CID 69474931
3-[[(Z)-3-[4-(4-phenylbutoxy)phenyl]but-2-enyl]amino]propanoic acid
CID 23121381
(Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine
CID 70596966
N-pent-1-enyl-4-phenylbenzamide
CID 67329304

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-N-propylbut-2-en-1-amine?
The IUPAC name of 3-(4-phenylphenyl)-N-propylbut-2-en-1-amine (CID 57040911) is 3-(4-phenylphenyl)-N-propylbut-2-en-1-amine.
What is the SMILES notation for 3-(4-phenylphenyl)-N-propylbut-2-en-1-amine?
The canonical SMILES for 3-(4-phenylphenyl)-N-propylbut-2-en-1-amine is CCCNCC=C(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)-N-propylbut-2-en-1-amine?
The InChIKey is KNMBLMJDDAOJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-3-14-20-15-13-16(2)17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-13,20H,3,14-15H2,1-2H3.
What are the key properties of 3-(4-phenylphenyl)-N-propylbut-2-en-1-amine?
3-(4-phenylphenyl)-N-propylbut-2-en-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-N-propylbut-2-en-1-amine is sourced from PubChem (CID 57040911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).