2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol

C13H18ClNO — CID 97333995

IUPAC2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
SMILESOCCN[C@H](c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C13H18ClNO/c14-12-6-4-11(5-7-12)13(15-8-9-16)10-2-1-3-10/h4-7,10,13,15-16H,1-3,8-9H2/t13-/m0/s1
InChIKeyQIIOEUHTHDPOGH-ZDUSSCGKSA-N
MW239.75 g/mol
LogP2.76
Rot. Bonds5

About 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol

2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol (PubChem CID 97333995) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
PubChem CID97333995
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
SMILESOCCN[C@H](c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C13H18ClNO/c14-12-6-4-11(5-7-12)13(15-8-9-16)10-2-1-3-10/h4-7,10,13,15-16H,1-3,8-9H2/t13-/m0/s1
InChIKeyQIIOEUHTHDPOGH-ZDUSSCGKSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
2-[[cyclopropyl(pyridin-4-yl)methyl]amino]ethanol
CID 121230237
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol
CID 115898278
1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
CID 115898611
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol
CID 104860395
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol
CID 64927634
N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol?
The IUPAC name of 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol (CID 97333995) is 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol.
What is the SMILES notation for 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol?
The canonical SMILES for 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol is OCCN[C@H](c1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol?
The InChIKey is QIIOEUHTHDPOGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-12-6-4-11(5-7-12)13(15-8-9-16)10-2-1-3-10/h4-7,10,13,15-16H,1-3,8-9H2/t13-/m0/s1.
What are the key properties of 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol?
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol has a molecular weight of 239.75 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol is sourced from PubChem (CID 97333995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).