N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine

C13H18ClN — CID 115632133

IUPACN-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN/c1-4-5-10(2)15-11(3)12-6-8-13(14)9-7-12/h4,6-11,15H,1,5H2,2-3H3
InChIKeyZSTHDIWRNKYFEN-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.96
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine

N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine (PubChem CID 115632133) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine
PubChem CID115632133
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN/c1-4-5-10(2)15-11(3)12-6-8-13(14)9-7-12/h4,6-11,15H,1,5H2,2-3H3
InChIKeyZSTHDIWRNKYFEN-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.96
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

N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine
CID 102574540
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide
CID 115898648
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
CID 81357194
N-[1-(4-chlorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115725719
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-2-amine
CID 81352202
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine
CID 81356589
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine (CID 115632133) is N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine is C=CCC(C)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine?
The InChIKey is ZSTHDIWRNKYFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-4-5-10(2)15-11(3)12-6-8-13(14)9-7-12/h4,6-11,15H,1,5H2,2-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine?
N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine has a molecular weight of 223.75 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine is sourced from PubChem (CID 115632133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).