N-[(4-chlorophenyl)methyl]hex-5-en-2-amine

C13H18ClN — CID 75525488

IUPACN-[(4-chlorophenyl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN/c1-3-4-5-11(2)15-10-12-6-8-13(14)9-7-12/h3,6-9,11,15H,1,4-5,10H2,2H3
InChIKeyWVYHKVOZMVQWJB-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.78
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]hex-5-en-2-amine

N-[(4-chlorophenyl)methyl]hex-5-en-2-amine (PubChem CID 75525488) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]hex-5-en-2-amine
PubChem CID75525488
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[(4-chlorophenyl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN/c1-3-4-5-11(2)15-10-12-6-8-13(14)9-7-12/h3,6-9,11,15H,1,4-5,10H2,2H3
InChIKeyWVYHKVOZMVQWJB-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.78
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

(2R)-N-benzylhex-5-en-2-amine
CID 97107585
N-[(3,4-difluorophenyl)methyl]hex-5-en-2-amine
CID 104581930
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
N-[(3-fluorophenyl)methyl]hex-5-en-2-amine
CID 75525500
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
N-(pyridin-2-ylmethyl)hex-5-en-2-amine
CID 75525482
N-[(3-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 104583115
N-[(4-chloro-3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633062
N'-hex-5-en-2-ylethane-1,2-diamine
CID 104655615
N-[[4-(chloromethyl)phenyl]methyl]pentan-2-amine
CID 107887675

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]hex-5-en-2-amine (CID 75525488) is N-[(4-chlorophenyl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]hex-5-en-2-amine is C=CCCC(C)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]hex-5-en-2-amine?
The InChIKey is WVYHKVOZMVQWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-3-4-5-11(2)15-10-12-6-8-13(14)9-7-12/h3,6-9,11,15H,1,4-5,10H2,2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]hex-5-en-2-amine?
N-[(4-chlorophenyl)methyl]hex-5-en-2-amine has a molecular weight of 223.75 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 75525488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).