2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol

C18H30N2O — CID 62631147

IUPAC2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol
SMILESCNC(CCN(CCO)C1CCCC1)c1ccccc1C
InChIInChI=1S/C18H30N2O/c1-15-7-3-6-10-17(15)18(19-2)11-12-20(13-14-21)16-8-4-5-9-16/h3,6-7,10,16,18-19,21H,4-5,8-9,11-14H2,1-2H3
InChIKeyKPTIDXYJEBTDMO-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.88
Rot. Bonds8

About 2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol

2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol (PubChem CID 62631147) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol
PubChem CID62631147
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol
SMILESCNC(CCN(CCO)C1CCCC1)c1ccccc1C
InChIInChI=1S/C18H30N2O/c1-15-7-3-6-10-17(15)18(19-2)11-12-20(13-14-21)16-8-4-5-9-16/h3,6-7,10,16,18-19,21H,4-5,8-9,11-14H2,1-2H3
InChIKeyKPTIDXYJEBTDMO-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624580
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62630443
N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62630412
2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 102870901
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62628744
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
CID 55099247
1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 63495491
N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62628726

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol (CID 62631147) is 2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol is CNC(CCN(CCO)C1CCCC1)c1ccccc1C.
What is the InChIKey of 2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol?
The InChIKey is KPTIDXYJEBTDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15-7-3-6-10-17(15)18(19-2)11-12-20(13-14-21)16-8-4-5-9-16/h3,6-7,10,16,18-19,21H,4-5,8-9,11-14H2,1-2H3.
What are the key properties of 2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol?
2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol is sourced from PubChem (CID 62631147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).