2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol

C17H27ClN2O — CID 102631632

IUPAC2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol
SMILESCCC(N)C(c1cccc(Cl)c1)N(C)C1CCCCC1O
InChIInChI=1S/C17H27ClN2O/c1-3-14(19)17(12-7-6-8-13(18)11-12)20(2)15-9-4-5-10-16(15)21/h6-8,11,14-17,21H,3-5,9-10,19H2,1-2H3
InChIKeyPQTWGZOJLHRJOI-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.35
Rot. Bonds5

About 2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol

2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol (PubChem CID 102631632) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol
PubChem CID102631632
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol
SMILESCCC(N)C(c1cccc(Cl)c1)N(C)C1CCCCC1O
InChIInChI=1S/C17H27ClN2O/c1-3-14(19)17(12-7-6-8-13(18)11-12)20(2)15-9-4-5-10-16(15)21/h6-8,11,14-17,21H,3-5,9-10,19H2,1-2H3
InChIKeyPQTWGZOJLHRJOI-UHFFFAOYSA-N
XLogP3.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55020028
2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 62980621
1-(3-chlorophenyl)-1-N-methyl-1-N-(3-methylcyclohexyl)butane-1,2-diamine
CID 63404072
1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546916
2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol
CID 102631633
2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol
CID 102631497
1-(3-chlorophenyl)-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206628
1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine
CID 63538085
1-N-methyl-1-N-(4-methylcyclohexyl)-1-(3-methylphenyl)butane-1,2-diamine
CID 63406157
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide
CID 106914505
1-(4-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55015474

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol (CID 102631632) is 2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol is CCC(N)C(c1cccc(Cl)c1)N(C)C1CCCCC1O.
What is the InChIKey of 2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol?
The InChIKey is PQTWGZOJLHRJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-14(19)17(12-7-6-8-13(18)11-12)20(2)15-9-4-5-10-16(15)21/h6-8,11,14-17,21H,3-5,9-10,19H2,1-2H3.
What are the key properties of 2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol?
2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol has a molecular weight of 310.87 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).