N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine

C20H25N — CID 79592735

IUPACN-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine
SMILESCC(C)(C)NCCC=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25N/c1-20(2,3)21-16-8-7-9-17-12-14-19(15-13-17)18-10-5-4-6-11-18/h4-7,9-15,21H,8,16H2,1-3H3
InChIKeyFEMFLLREKCUCHU-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.14
Rot. Bonds5

About N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine

N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine (PubChem CID 79592735) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine
PubChem CID79592735
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine
SMILESCC(C)(C)NCCC=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25N/c1-20(2,3)21-16-8-7-9-17-12-14-19(15-13-17)18-10-5-4-6-11-18/h4-7,9-15,21H,8,16H2,1-3H3
InChIKeyFEMFLLREKCUCHU-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-tert-butyl-4-(3-fluoro-4-methylphenyl)but-3-en-1-amine
CID 107129532
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79592558
N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79599160
(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
N-tert-butyl-4-(3-fluoro-5-methylphenyl)but-3-en-1-amine
CID 79703507
N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 123802706
(E,3S)-3-[(2S)-1-fluoro-2-hydroxypropan-2-yl]-3-methyl-7-(4-phenylphenyl)hept-6-en-2-one
CID 162241100
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
(E)-2-methyl-6-phenylhex-5-en-2-ol
CID 82468818
4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide
CID 123808194
N-tert-butyl-4-(5-fluoro-2-methylphenyl)but-3-en-1-amine
CID 79598780

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine (CID 79592735) is N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine is CC(C)(C)NCCC=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine?
The InChIKey is FEMFLLREKCUCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-20(2,3)21-16-8-7-9-17-12-14-19(15-13-17)18-10-5-4-6-11-18/h4-7,9-15,21H,8,16H2,1-3H3.
What are the key properties of N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine?
N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine has a molecular weight of 279.43 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine is sourced from PubChem (CID 79592735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).