4-(2-chlorophenyl)-N-propylpent-3-en-1-amine

C14H20ClN — CID 79597836

IUPAC4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)c1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-3-10-16-11-6-7-12(2)13-8-4-5-9-14(13)15/h4-5,7-9,16H,3,6,10-11H2,1-2H3
InChIKeyYKIMIDRIDCPBLC-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.13
Rot. Bonds6

About 4-(2-chlorophenyl)-N-propylpent-3-en-1-amine

4-(2-chlorophenyl)-N-propylpent-3-en-1-amine (PubChem CID 79597836) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
PubChem CID79597836
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)c1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-3-10-16-11-6-7-12(2)13-8-4-5-9-14(13)15/h4-5,7-9,16H,3,6,10-11H2,1-2H3
InChIKeyYKIMIDRIDCPBLC-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.13
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)-4-(2-chlorophenyl)pent-3-en-1-amine
CID 82076101
1-(5-bromopent-2-en-2-yl)-2-chlorobenzene
CID 79018892
4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine
CID 79598982
(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine
CID 104663334
4-methyl-5-(2-methylphenyl)-N-propylpent-3-en-1-amine
CID 79599626
(Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666318
4-(2,3-difluorophenyl)-N-ethylpent-3-en-1-amine
CID 79599095
4-methyl-N-propylpent-3-en-1-amine
CID 62548656
N-propyl-4-quinolin-3-ylpent-3-en-1-amine
CID 79598852
4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
CID 79598478
(E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine
CID 107310959
5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine
CID 79598084

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-propylpent-3-en-1-amine?
The IUPAC name of 4-(2-chlorophenyl)-N-propylpent-3-en-1-amine (CID 79597836) is 4-(2-chlorophenyl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 4-(2-chlorophenyl)-N-propylpent-3-en-1-amine is CCCNCCC=C(C)c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-N-propylpent-3-en-1-amine?
The InChIKey is YKIMIDRIDCPBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-3-10-16-11-6-7-12(2)13-8-4-5-9-14(13)15/h4-5,7-9,16H,3,6,10-11H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-N-propylpent-3-en-1-amine?
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine has a molecular weight of 237.77 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79597836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).