1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine

C18H19N — CID 55060425

IUPAC1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine
SMILESCCC(NCC#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N/c1-2-18(17-13-7-4-8-14-17)19-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18-19H,2,15H2,1H3
InChIKeyCZJRUPKFXGFLME-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.78
Rot. Bonds4

About 1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine

1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine (PubChem CID 55060425) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine
PubChem CID55060425
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine
SMILESCCC(NCC#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N/c1-2-18(17-13-7-4-8-14-17)19-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18-19H,2,15H2,1H3
InChIKeyCZJRUPKFXGFLME-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.78
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

N-(1-phenylpropyl)but-3-yn-1-amine
CID 63654885
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81361410
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
(1S)-N-iodo-1-phenylpropan-1-amine
CID 87207146
1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine
CID 55069022
N-[(1S)-1-(3-bromophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81381421
3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
N-[1-(4-chlorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340706
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81347915
N-[(1R)-1-(4-bromophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81360187

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine?
The IUPAC name of 1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine (CID 55060425) is 1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine.
What is the SMILES notation for 1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine?
The canonical SMILES for 1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine is CCC(NCC#Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine?
The InChIKey is CZJRUPKFXGFLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-18(17-13-7-4-8-14-17)19-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18-19H,2,15H2,1H3.
What are the key properties of 1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine?
1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine is sourced from PubChem (CID 55060425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).