2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine

C19H23N — CID 70641823

IUPAC2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine
SMILESCCCC(C)(N)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H23N/c1-3-15-19(2,20)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16/h4-14H,3,15,20H2,1-2H3/b10-9+
InChIKeyBQMJLIRZSBXUHM-MDZDMXLPSA-N
MW265.40 g/mol
LogP4.83
Rot. Bonds5

About 2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine

2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine (PubChem CID 70641823) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine.

Molecular Properties

Compound Name2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine
PubChem CID70641823
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine
SMILESCCCC(C)(N)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H23N/c1-3-15-19(2,20)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16/h4-14H,3,15,20H2,1-2H3/b10-9+
InChIKeyBQMJLIRZSBXUHM-MDZDMXLPSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine
CID 89087487
1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101407026
(2S)-2-phenylhexan-2-amine
CID 10889241
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
2-phenyldecan-2-amine
CID 63408050
butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine
CID 143743214
2-phenylicosan-2-amine;hydrochloride
CID 173065845
N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 90305123
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
2-(4-tert-butylphenyl)butan-2-amine
CID 62548189

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine?
The IUPAC name of 2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine (CID 70641823) is 2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine.
What is the SMILES notation for 2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine?
The canonical SMILES for 2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine is CCCC(C)(N)c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine?
The InChIKey is BQMJLIRZSBXUHM-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H23N/c1-3-15-19(2,20)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16/h4-14H,3,15,20H2,1-2H3/b10-9+.
What are the key properties of 2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine?
2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine is sourced from PubChem (CID 70641823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).