2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol

C16H25NO — CID 62015858

IUPAC2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
SMILESCc1ccc(CN(CCO)C2CCCC2)cc1C
InChIInChI=1S/C16H25NO/c1-13-7-8-15(11-14(13)2)12-17(9-10-18)16-5-3-4-6-16/h7-8,11,16,18H,3-6,9-10,12H2,1-2H3
InChIKeyYFDCMMCYHUEQEX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.04
Rot. Bonds5

About 2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol

2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol (PubChem CID 62015858) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
PubChem CID62015858
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
SMILESCc1ccc(CN(CCO)C2CCCC2)cc1C
InChIInChI=1S/C16H25NO/c1-13-7-8-15(11-14(13)2)12-17(9-10-18)16-5-3-4-6-16/h7-8,11,16,18H,3-6,9-10,12H2,1-2H3
InChIKeyYFDCMMCYHUEQEX-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutanamine
CID 102861334
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol
CID 65478154
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol
CID 102870554

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol (CID 62015858) is 2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol is Cc1ccc(CN(CCO)C2CCCC2)cc1C.
What is the InChIKey of 2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol?
The InChIKey is YFDCMMCYHUEQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-7-8-15(11-14(13)2)12-17(9-10-18)16-5-3-4-6-16/h7-8,11,16,18H,3-6,9-10,12H2,1-2H3.
What are the key properties of 2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol?
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 62015858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).