N-[(4-phenylphenyl)methyl]pent-4-en-2-amine

C18H21N — CID 115633215

IUPACN-[(4-phenylphenyl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21N/c1-3-7-15(2)19-14-16-10-12-18(13-11-16)17-8-5-4-6-9-17/h3-6,8-13,15,19H,1,7,14H2,2H3
InChIKeyOZUBFLRRDSTFCB-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.41
Rot. Bonds6

About N-[(4-phenylphenyl)methyl]pent-4-en-2-amine

N-[(4-phenylphenyl)methyl]pent-4-en-2-amine (PubChem CID 115633215) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]pent-4-en-2-amine
PubChem CID115633215
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[(4-phenylphenyl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21N/c1-3-7-15(2)19-14-16-10-12-18(13-11-16)17-8-5-4-6-9-17/h3-6,8-13,15,19H,1,7,14H2,2H3
InChIKeyOZUBFLRRDSTFCB-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
3-[(4-phenylphenyl)methylamino]butan-1-ol
CID 78998247
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine
CID 62734283
methyl 4-[(pent-4-en-2-ylamino)methyl]benzoate
CID 115907298
N-[(4-bromo-3-methylphenyl)methyl]pent-4-en-2-amine
CID 115668235
N-[(3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633143
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633034
N-benzyl-2-methylpent-4-en-1-amine
CID 10487895
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
N-[(4-chloro-3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633062

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]pent-4-en-2-amine?
The IUPAC name of N-[(4-phenylphenyl)methyl]pent-4-en-2-amine (CID 115633215) is N-[(4-phenylphenyl)methyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]pent-4-en-2-amine?
The canonical SMILES for N-[(4-phenylphenyl)methyl]pent-4-en-2-amine is C=CCC(C)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]pent-4-en-2-amine?
The InChIKey is OZUBFLRRDSTFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-7-15(2)19-14-16-10-12-18(13-11-16)17-8-5-4-6-9-17/h3-6,8-13,15,19H,1,7,14H2,2H3.
What are the key properties of N-[(4-phenylphenyl)methyl]pent-4-en-2-amine?
N-[(4-phenylphenyl)methyl]pent-4-en-2-amine has a molecular weight of 251.37 g/mol, XLogP of 4.41, 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-en-2-amine is sourced from PubChem (CID 115633215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).