2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol

C15H23ClN2O — CID 55098754

IUPAC2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
SMILESCNC(CCN(CCO)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-17-15(12-3-2-4-13(16)11-12)7-8-18(9-10-19)14-5-6-14/h2-4,11,14-15,17,19H,5-10H2,1H3
InChIKeyKZAYXIFNMCAWOB-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.45
Rot. Bonds8

About 2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol

2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol (PubChem CID 55098754) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
PubChem CID55098754
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
SMILESCNC(CCN(CCO)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-17-15(12-3-2-4-13(16)11-12)7-8-18(9-10-19)14-5-6-14/h2-4,11,14-15,17,19H,5-10H2,1H3
InChIKeyKZAYXIFNMCAWOB-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
CID 62628710
1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035
N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
CID 78944157
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495538
1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114953529
2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 102870901
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62630789
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol?
The IUPAC name of 2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol (CID 55098754) is 2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol?
The canonical SMILES for 2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol is CNC(CCN(CCO)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol?
The InChIKey is KZAYXIFNMCAWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-17-15(12-3-2-4-13(16)11-12)7-8-18(9-10-19)14-5-6-14/h2-4,11,14-15,17,19H,5-10H2,1H3.
What are the key properties of 2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol?
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol has a molecular weight of 282.81 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol is sourced from PubChem (CID 55098754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).