N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine

C15H20ClN — CID 102574540

IUPACN-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(CC=C)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN/c1-4-6-12(3)17-15(7-5-2)13-8-10-14(16)11-9-13/h4-5,8-12,15,17H,1-2,6-7H2,3H3
InChIKeyUDZUJAHHVZLJAM-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.51
Rot. Bonds7

About N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine

N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine (PubChem CID 102574540) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine
PubChem CID102574540
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC NameN-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(CC=C)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN/c1-4-6-12(3)17-15(7-5-2)13-8-10-14(16)11-9-13/h4-5,8-12,15,17H,1-2,6-7H2,3H3
InChIKeyUDZUJAHHVZLJAM-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.51
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)ethyl]pent-4-en-2-amine
CID 115632133
1-(4-bromophenyl)-N-but-3-en-2-ylbut-3-en-1-amine
CID 101202887
2-chloro-N-[1-(4-chlorophenyl)but-3-enyl]aniline
CID 11335311
(1S)-N-benzyl-1-(4-chlorophenyl)but-3-en-1-amine
CID 2431007
N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 61380125
N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine
CID 102574543
1-chloro-4-[(3R)-hexa-1,5-dien-3-yl]benzene
CID 122229914
1-chloro-4-(1-fluorobut-3-enyl)benzene
CID 86040171
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
(1R)-1-(4-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171212189
(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 93470492
1-chloro-4-[(1R)-1-ethoxybut-3-enyl]benzene
CID 125492960

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine (CID 102574540) is N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine is C=CCC(C)NC(CC=C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine?
The InChIKey is UDZUJAHHVZLJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-4-6-12(3)17-15(7-5-2)13-8-10-14(16)11-9-13/h4-5,8-12,15,17H,1-2,6-7H2,3H3.
What are the key properties of N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine?
N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine has a molecular weight of 249.78 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine is sourced from PubChem (CID 102574540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).