N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine

C17H17N — CID 155543137

IUPACN-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17N/c1-3-13-18(2)14-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h1,4-12H,13-14H2,2H3
InChIKeyFJDAFPPWDIROEF-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.42
Rot. Bonds4

About N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine

N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine (PubChem CID 155543137) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine
PubChem CID155543137
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17N/c1-3-13-18(2)14-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h1,4-12H,13-14H2,2H3
InChIKeyFJDAFPPWDIROEF-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine (CID 155543137) is N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine is C#CCN(C)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine?
The InChIKey is FJDAFPPWDIROEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-3-13-18(2)14-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h1,4-12H,13-14H2,2H3.
What are the key properties of N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine?
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine has a molecular weight of 235.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-phenylphenyl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 155543137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).