1-(4-benzylphenyl)pent-1-yn-3-amine

C18H19N — CID 106226356

IUPAC1-(4-benzylphenyl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-2-18(19)13-12-15-8-10-17(11-9-15)14-16-6-4-3-5-7-16/h3-11,18H,2,14,19H2,1H3
InChIKeyZFDMROVLJNHPPV-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.37
Rot. Bonds3

About 1-(4-benzylphenyl)pent-1-yn-3-amine

1-(4-benzylphenyl)pent-1-yn-3-amine (PubChem CID 106226356) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-benzylphenyl)pent-1-yn-3-amine.

Molecular Properties

Compound Name1-(4-benzylphenyl)pent-1-yn-3-amine
PubChem CID106226356
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-(4-benzylphenyl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-2-18(19)13-12-15-8-10-17(11-9-15)14-16-6-4-3-5-7-16/h3-11,18H,2,14,19H2,1H3
InChIKeyZFDMROVLJNHPPV-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
CID 159007625
1,4-bis[[4-(2-phenylethynyl)phenyl]methyl]benzene
CID 101132302
1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine
CID 106226053
(1S)-1-(4-benzylphenyl)propan-1-amine
CID 79018348
1-(4-ethylphenyl)hex-1-yn-3-amine
CID 106225693
1-ethoxy-4-phenylbut-3-yn-2-amine
CID 130700477
1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine
CID 106226262
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-(4-benzylphenyl)ethanamine
CID 3962419
benzylbenzene;ethane;methanamine
CID 54117827
4-phenylbut-3-yn-2-amine;hydrochloride
CID 146445428

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)pent-1-yn-3-amine?
The IUPAC name of 1-(4-benzylphenyl)pent-1-yn-3-amine (CID 106226356) is 1-(4-benzylphenyl)pent-1-yn-3-amine.
What is the SMILES notation for 1-(4-benzylphenyl)pent-1-yn-3-amine?
The canonical SMILES for 1-(4-benzylphenyl)pent-1-yn-3-amine is CCC(N)C#Cc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-benzylphenyl)pent-1-yn-3-amine?
The InChIKey is ZFDMROVLJNHPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-18(19)13-12-15-8-10-17(11-9-15)14-16-6-4-3-5-7-16/h3-11,18H,2,14,19H2,1H3.
What are the key properties of 1-(4-benzylphenyl)pent-1-yn-3-amine?
1-(4-benzylphenyl)pent-1-yn-3-amine has a molecular weight of 249.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)pent-1-yn-3-amine is sourced from PubChem (CID 106226356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).