N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride

C23H35Cl2N — CID 20839288

IUPACN-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride
SMILESC=C(Cc1ccc(C2CCCCC2)c(Cl)c1)N(CC)C1CCCCC1.Cl
InChIInChI=1S/C23H34ClN.ClH/c1-3-25(21-12-8-5-9-13-21)18(2)16-19-14-15-22(23(24)17-19)20-10-6-4-7-11-20;/h14-15,17,20-21H,2-13,16H2,1H3;1H
InChIKeyDZVQQQQCJMMUFG-UHFFFAOYSA-N
MW396.45 g/mol
LogP7.52
Rot. Bonds6

About N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride

N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride (PubChem CID 20839288) has the molecular formula C23H35Cl2N and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride
PubChem CID20839288
Molecular FormulaC23H35Cl2N
Molecular Weight396.45 g/mol
Exact Mass395.21
IUPAC NameN-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride
SMILESC=C(Cc1ccc(C2CCCCC2)c(Cl)c1)N(CC)C1CCCCC1.Cl
InChIInChI=1S/C23H34ClN.ClH/c1-3-25(21-12-8-5-9-13-21)18(2)16-19-14-15-22(23(24)17-19)20-10-6-4-7-11-20;/h14-15,17,20-21H,2-13,16H2,1H3;1H
InChIKeyDZVQQQQCJMMUFG-UHFFFAOYSA-N
XLogP7.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride?
The IUPAC name of N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride (CID 20839288) is N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride.
What is the SMILES notation for N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride?
The canonical SMILES for N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride is C=C(Cc1ccc(C2CCCCC2)c(Cl)c1)N(CC)C1CCCCC1.Cl.
What is the InChIKey of N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride?
The InChIKey is DZVQQQQCJMMUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN.ClH/c1-3-25(21-12-8-5-9-13-21)18(2)16-19-14-15-22(23(24)17-19)20-10-6-4-7-11-20;/h14-15,17,20-21H,2-13,16H2,1H3;1H.
What are the key properties of N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride?
N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride has a molecular weight of 396.45 g/mol, XLogP of 7.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-cyclohexylphenyl)prop-1-en-2-yl]-N-ethylcyclohexanamine;hydrochloride is sourced from PubChem (CID 20839288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).