4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine

C15H23N — CID 79592990

IUPAC4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine
SMILESCCc1ccc(C=CCCNC(C)C)cc1
InChIInChI=1S/C15H23N/c1-4-14-8-10-15(11-9-14)7-5-6-12-16-13(2)3/h5,7-11,13,16H,4,6,12H2,1-3H3
InChIKeyHTARDTJRPOPPLO-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.65
Rot. Bonds6

About 4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine

4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine (PubChem CID 79592990) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine
PubChem CID79592990
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine
SMILESCCc1ccc(C=CCCNC(C)C)cc1
InChIInChI=1S/C15H23N/c1-4-14-8-10-15(11-9-14)7-5-6-12-16-13(2)3/h5,7-11,13,16H,4,6,12H2,1-3H3
InChIKeyHTARDTJRPOPPLO-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.65
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

N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine
CID 79593449
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200
4-(3,5-dimethylphenyl)-N-propan-2-ylbut-3-en-1-amine
CID 79591077
1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene
CID 172769855
1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene
CID 22991130
4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79591333
N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 79592046
4-(furan-2-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79590846
4-(4-ethylphenyl)but-3-enenitrile
CID 170799212
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304387
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170495473

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine (CID 79592990) is 4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine is CCc1ccc(C=CCCNC(C)C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is HTARDTJRPOPPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-14-8-10-15(11-9-14)7-5-6-12-16-13(2)3/h5,7-11,13,16H,4,6,12H2,1-3H3.
What are the key properties of 4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine?
4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 79592990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).