(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride

C13H19Cl2N — CID 70285128

IUPAC(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
SMILESCC(C)C[C@H](N)/C=C/c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H18ClN.ClH/c1-10(2)9-13(15)8-5-11-3-6-12(14)7-4-11;/h3-8,10,13H,9,15H2,1-2H3;1H/b8-5+;/t13-;/m1./s1
InChIKeyUHLXJEHWOWLQPD-WYFFVQCESA-N
MW260.21 g/mol
LogP4.15
Rot. Bonds4

About (E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride

(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride (PubChem CID 70285128) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is (E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride.

Molecular Properties

Compound Name(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
PubChem CID70285128
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
SMILESCC(C)C[C@H](N)/C=C/c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H18ClN.ClH/c1-10(2)9-13(15)8-5-11-3-6-12(14)7-4-11;/h3-8,10,13H,9,15H2,1-2H3;1H/b8-5+;/t13-;/m1./s1
InChIKeyUHLXJEHWOWLQPD-WYFFVQCESA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
CID 70285132
(E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride
CID 18784939
4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
CID 10954799
(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514
(E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide
CID 43606431
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-chloro-4-(4-methylpent-1-enyl)benzene
CID 156766327
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
CID 103092390
1-chloro-4-(6-methyl-3-nitrosohept-1-enyl)benzene
CID 54199627

Frequently Asked Questions

What is the IUPAC name of (E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride?
The IUPAC name of (E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride (CID 70285128) is (E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride.
What is the SMILES notation for (E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride?
The canonical SMILES for (E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride is CC(C)C[C@H](N)/C=C/c1ccc(Cl)cc1.Cl.
What is the InChIKey of (E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride?
The InChIKey is UHLXJEHWOWLQPD-WYFFVQCESA-N. The full InChI is InChI=1S/C13H18ClN.ClH/c1-10(2)9-13(15)8-5-11-3-6-12(14)7-4-11;/h3-8,10,13H,9,15H2,1-2H3;1H/b8-5+;/t13-;/m1./s1.
What are the key properties of (E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride?
(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride has a molecular weight of 260.21 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride is sourced from PubChem (CID 70285128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).