2-[(3-chlorophenyl)methyl-ethylamino]ethanol

C11H16ClNO — CID 60685456

IUPAC2-[(3-chlorophenyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-2-13(6-7-14)9-10-4-3-5-11(12)8-10/h3-5,8,14H,2,6-7,9H2,1H3
InChIKeyZTMRVKSGNKCGAA-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.15
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl-ethylamino]ethanol

2-[(3-chlorophenyl)methyl-ethylamino]ethanol (PubChem CID 60685456) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-ethylamino]ethanol
PubChem CID60685456
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-[(3-chlorophenyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-2-13(6-7-14)9-10-4-3-5-11(12)8-10/h3-5,8,14H,2,6-7,9H2,1H3
InChIKeyZTMRVKSGNKCGAA-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methylsulfanylethanamine
CID 112829058
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine
CID 142098945
2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 46934127
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 119049014
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
N-[(3-chlorophenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 4712070

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(3-chlorophenyl)methyl-ethylamino]ethanol (CID 60685456) is 2-[(3-chlorophenyl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-ethylamino]ethanol is CCN(CCO)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-ethylamino]ethanol?
The InChIKey is ZTMRVKSGNKCGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-2-13(6-7-14)9-10-4-3-5-11(12)8-10/h3-5,8,14H,2,6-7,9H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl-ethylamino]ethanol?
2-[(3-chlorophenyl)methyl-ethylamino]ethanol has a molecular weight of 213.71 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-ethylamino]ethanol is sourced from PubChem (CID 60685456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).