N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine

C18H19N — CID 103701650

IUPACN-[(4-phenylphenyl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-2-3-7-14-19-15-16-10-12-18(13-11-16)17-8-5-4-6-9-17/h1,4-6,8-13,19H,3,7,14-15H2
InChIKeyWGMPRXKUQJGAHC-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine

N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine (PubChem CID 103701650) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]pent-4-yn-1-amine
PubChem CID103701650
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN-[(4-phenylphenyl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-2-3-7-14-19-15-16-10-12-18(13-11-16)17-8-5-4-6-9-17/h1,4-6,8-13,19H,3,7,14-15H2
InChIKeyWGMPRXKUQJGAHC-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-yn-1-amine
CID 103701703
N'-hydroxy-4-[(pent-4-ynylamino)methyl]benzenecarboximidamide
CID 106222313
2-[(pent-4-ynylamino)methyl]benzoic acid
CID 106222657
4-[2-(4-phenylphenyl)ethylamino]butanenitrile
CID 115231915
N-(bromomethyl)-1-(4-phenylphenyl)methanamine
CID 115261872
N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
CID 106220402
2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride
CID 90665177
N-[(4-propan-2-yloxyphenyl)methyl]hex-5-yn-1-amine
CID 113256054
N-[(3-nitrophenyl)methyl]pent-4-yn-1-amine
CID 115656507
N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine
CID 103757663
3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine?
The IUPAC name of N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine (CID 103701650) is N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine?
The canonical SMILES for N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine is C#CCCCNCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine?
The InChIKey is WGMPRXKUQJGAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-3-7-14-19-15-16-10-12-18(13-11-16)17-8-5-4-6-9-17/h1,4-6,8-13,19H,3,7,14-15H2.
What are the key properties of N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine?
N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine has a molecular weight of 249.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine is sourced from PubChem (CID 103701650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).