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

C16H17N — CID 90242469

IUPACN-[(2-phenylphenyl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccccc1-c1ccccc1
InChIInChI=1S/C16H17N/c1-2-12-17-13-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h2-11,17H,1,12-13H2
InChIKeyQDGOIXWPMMPRAR-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.63
Rot. Bonds5

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

N-[(2-phenylphenyl)methyl]prop-2-en-1-amine (PubChem CID 90242469) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2-phenylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2-phenylphenyl)methyl]prop-2-en-1-amine
PubChem CID90242469
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-[(2-phenylphenyl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccccc1-c1ccccc1
InChIInChI=1S/C16H17N/c1-2-12-17-13-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h2-11,17H,1,12-13H2
InChIKeyQDGOIXWPMMPRAR-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;N'-[(2-phenylphenyl)methyl]-N-[3-[(2-phenylphenyl)methylamino]propyl]butane-1,4-diamine;trihydrobromide
CID 157433735
N-[(2-bromophenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 75357741
formic acid;1-phenyl-2-prop-2-enylbenzene
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N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
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1-phenyl-2-prop-2-enylbenzene;stilbene
CID 173298564
1-phenyl-2-[(2-phenylphenyl)methyl]benzene
CID 54434316
methyl 2-[2-[(prop-2-enylamino)methyl]phenyl]acetate
CID 115461356
1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine
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N-[(2-phenylphenyl)methyl]-1-piperidin-4-ylmethanamine
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CID 42778544

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(2-phenylphenyl)methyl]prop-2-en-1-amine (CID 90242469) is N-[(2-phenylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(2-phenylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(2-phenylphenyl)methyl]prop-2-en-1-amine is C=CCNCc1ccccc1-c1ccccc1.
What is the InChIKey of N-[(2-phenylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is QDGOIXWPMMPRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-12-17-13-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h2-11,17H,1,12-13H2.
What are the key properties of N-[(2-phenylphenyl)methyl]prop-2-en-1-amine?
N-[(2-phenylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 223.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 90242469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).