1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride

C16H25Cl2N — CID 165361754

IUPAC1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride
SMILESCCN(CC)C1(c2ccc(Cl)cc2)CCCCC1.Cl
InChIInChI=1S/C16H24ClN.ClH/c1-3-18(4-2)16(12-6-5-7-13-16)14-8-10-15(17)11-9-14;/h8-11H,3-7,12-13H2,1-2H3;1H
InChIKeyAYQQLEBIYWQONE-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.26
Rot. Bonds4

About 1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride

1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride (PubChem CID 165361754) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride
PubChem CID165361754
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride
SMILESCCN(CC)C1(c2ccc(Cl)cc2)CCCCC1.Cl
InChIInChI=1S/C16H24ClN.ClH/c1-3-18(4-2)16(12-6-5-7-13-16)14-8-10-15(17)11-9-14;/h8-11H,3-7,12-13H2,1-2H3;1H
InChIKeyAYQQLEBIYWQONE-UHFFFAOYSA-N
XLogP5.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride (CID 165361754) is 1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride is CCN(CC)C1(c2ccc(Cl)cc2)CCCCC1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride?
The InChIKey is AYQQLEBIYWQONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN.ClH/c1-3-18(4-2)16(12-6-5-7-13-16)14-8-10-15(17)11-9-14;/h8-11H,3-7,12-13H2,1-2H3;1H.
What are the key properties of 1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride?
1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride has a molecular weight of 302.29 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 165361754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).