N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine

C19H23N — CID 106179833

IUPACN-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N/c1-16(2)13-14-20-19(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-13,19-20H,14-15H2,1-2H3
InChIKeyVUGSKXAFHSJVEK-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.53
Rot. Bonds6

About N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine

N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine (PubChem CID 106179833) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine
PubChem CID106179833
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N/c1-16(2)13-14-20-19(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-13,19-20H,14-15H2,1-2H3
InChIKeyVUGSKXAFHSJVEK-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.53
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

3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
3-methyl-N-[1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethyl]but-2-en-1-amine
CID 3073301
3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine
CID 103605764
N-[(1R)-1,2-diphenylethyl]-2-methylpropan-1-amine
CID 40561608
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
CID 115720401
N-(2-fluoroethyl)-1,2-diphenylethanamine
CID 113247505
3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine
CID 131162694
N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride
CID 70443145
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine?
The IUPAC name of N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine (CID 106179833) is N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine?
The canonical SMILES for N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine is CC(C)=CCNC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine?
The InChIKey is VUGSKXAFHSJVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-16(2)13-14-20-19(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-13,19-20H,14-15H2,1-2H3.
What are the key properties of N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine?
N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 106179833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).