1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride

C20H31Cl2NO — CID 170889959

IUPAC1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(Cl)cc(C2CCCCC2)c1OCC1CC1.Cl
InChIInChI=1S/C20H30ClNO.ClH/c1-2-18(22)11-16-10-17(21)12-19(15-6-4-3-5-7-15)20(16)23-13-14-8-9-14;/h10,12,14-15,18H,2-9,11,13,22H2,1H3;1H
InChIKeyJHXTWPXZEVDLNV-UHFFFAOYSA-N
MW372.38 g/mol
LogP5.88
Rot. Bonds7

About 1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride

1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride (PubChem CID 170889959) has the molecular formula C20H31Cl2NO and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
PubChem CID170889959
Molecular FormulaC20H31Cl2NO
Molecular Weight372.38 g/mol
Exact Mass371.18
IUPAC Name1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(Cl)cc(C2CCCCC2)c1OCC1CC1.Cl
InChIInChI=1S/C20H30ClNO.ClH/c1-2-18(22)11-16-10-17(21)12-19(15-6-4-3-5-7-15)20(16)23-13-14-8-9-14;/h10,12,14-15,18H,2-9,11,13,22H2,1H3;1H
InChIKeyJHXTWPXZEVDLNV-UHFFFAOYSA-N
XLogP5.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102
1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride
CID 170893939
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
CID 170890029
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
1-[5-butan-2-yl-3-chloro-2-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889873
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-[5-bromo-3-methyl-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115962930

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride (CID 170889959) is 1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride is CCC(N)Cc1cc(Cl)cc(C2CCCCC2)c1OCC1CC1.Cl.
What is the InChIKey of 1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride?
The InChIKey is JHXTWPXZEVDLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO.ClH/c1-2-18(22)11-16-10-17(21)12-19(15-6-4-3-5-7-15)20(16)23-13-14-8-9-14;/h10,12,14-15,18H,2-9,11,13,22H2,1H3;1H.
What are the key properties of 1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride?
1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride has a molecular weight of 372.38 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170889959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).