2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol

C16H26N2O — CID 55099042

IUPAC2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
SMILESCNC(CCN(CCO)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-13-3-5-14(6-4-13)16(17-2)9-10-18(11-12-19)15-7-8-15/h3-6,15-17,19H,7-12H2,1-2H3
InChIKeyHIGQIHSINCERGE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.10
Rot. Bonds8

About 2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol

2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol (PubChem CID 55099042) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
PubChem CID55099042
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
SMILESCNC(CCN(CCO)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-13-3-5-14(6-4-13)16(17-2)9-10-18(11-12-19)15-7-8-15/h3-6,15-17,19H,7-12H2,1-2H3
InChIKeyHIGQIHSINCERGE-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 102870901
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63484007
2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol
CID 62631147
N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
CID 62612456
N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
CID 78944157
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521860
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 110892135
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol
CID 102871015
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol (CID 55099042) is 2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol is CNC(CCN(CCO)C1CC1)c1ccc(C)cc1.
What is the InChIKey of 2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol?
The InChIKey is HIGQIHSINCERGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-3-5-14(6-4-13)16(17-2)9-10-18(11-12-19)15-7-8-15/h3-6,15-17,19H,7-12H2,1-2H3.
What are the key properties of 2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol?
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol is sourced from PubChem (CID 55099042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).