4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride

C20H34ClNO — CID 19885108

IUPAC4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
SMILESCC(CCc1ccc(OCCC2CCCCC2)cc1)N(C)C.Cl
InChIInChI=1S/C20H33NO.ClH/c1-17(21(2)3)9-10-19-11-13-20(14-12-19)22-16-15-18-7-5-4-6-8-18;/h11-14,17-18H,4-10,15-16H2,1-3H3;1H
InChIKeyGZROLYYBSJZLQC-UHFFFAOYSA-N
MW339.95 g/mol
LogP5.34
Rot. Bonds8

About 4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride

4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride (PubChem CID 19885108) has the molecular formula C20H34ClNO and a molecular weight of 339.95 g/mol. Its IUPAC name is 4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
PubChem CID19885108
Molecular FormulaC20H34ClNO
Molecular Weight339.95 g/mol
Exact Mass339.23
IUPAC Name4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
SMILESCC(CCc1ccc(OCCC2CCCCC2)cc1)N(C)C.Cl
InChIInChI=1S/C20H33NO.ClH/c1-17(21(2)3)9-10-19-11-13-20(14-12-19)22-16-15-18-7-5-4-6-8-18;/h11-14,17-18H,4-10,15-16H2,1-3H3;1H
InChIKeyGZROLYYBSJZLQC-UHFFFAOYSA-N
XLogP5.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.95
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
CID 19885274
N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
CID 19885290
4-[4-[3-(dimethylamino)butyl]phenoxy]butanenitrile;hydrochloride
CID 70383786
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine
CID 166938631
4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride
CID 19885187
2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid
CID 143002013
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride?
The IUPAC name of 4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride (CID 19885108) is 4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride.
What is the SMILES notation for 4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride?
The canonical SMILES for 4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride is CC(CCc1ccc(OCCC2CCCCC2)cc1)N(C)C.Cl.
What is the InChIKey of 4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride?
The InChIKey is GZROLYYBSJZLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO.ClH/c1-17(21(2)3)9-10-19-11-13-20(14-12-19)22-16-15-18-7-5-4-6-8-18;/h11-14,17-18H,4-10,15-16H2,1-3H3;1H.
What are the key properties of 4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride?
4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride has a molecular weight of 339.95 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride is sourced from PubChem (CID 19885108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).