3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride

C19H31Cl2N — CID 3044145

IUPAC3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride
SMILESCCN(CC)CCCc1ccc(C2CCCCC2)c(Cl)c1.Cl
InChIInChI=1S/C19H30ClN.ClH/c1-3-21(4-2)14-8-9-16-12-13-18(19(20)15-16)17-10-6-5-7-11-17;/h12-13,15,17H,3-11,14H2,1-2H3;1H
InChIKeyIMPFOUWTMDDJAZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP6.08
Rot. Bonds7

About 3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride

3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride (PubChem CID 3044145) has the molecular formula C19H31Cl2N and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride
PubChem CID3044145
Molecular FormulaC19H31Cl2N
Molecular Weight344.37 g/mol
Exact Mass343.18
IUPAC Name3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride
SMILESCCN(CC)CCCc1ccc(C2CCCCC2)c(Cl)c1.Cl
InChIInChI=1S/C19H30ClN.ClH/c1-3-21(4-2)14-8-9-16-12-13-18(19(20)15-16)17-10-6-5-7-11-17;/h12-13,15,17H,3-11,14H2,1-2H3;1H
InChIKeyIMPFOUWTMDDJAZ-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride (CID 3044145) is 3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride is CCN(CC)CCCc1ccc(C2CCCCC2)c(Cl)c1.Cl.
What is the InChIKey of 3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride?
The InChIKey is IMPFOUWTMDDJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN.ClH/c1-3-21(4-2)14-8-9-16-12-13-18(19(20)15-16)17-10-6-5-7-11-17;/h12-13,15,17H,3-11,14H2,1-2H3;1H.
What are the key properties of 3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride?
3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride has a molecular weight of 344.37 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 3044145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).