methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate

C13H18ClNO3 — CID 110908434

IUPACmethyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate
SMILESCOC(=O)CN(CCCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-18-13(17)10-15(7-2-8-16)9-11-3-5-12(14)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyCEIQGVOLIICXTB-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.70
Rot. Bonds7

About methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate

methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate (PubChem CID 110908434) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate
PubChem CID110908434
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate
SMILESCOC(=O)CN(CCCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-18-13(17)10-15(7-2-8-16)9-11-3-5-12(14)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyCEIQGVOLIICXTB-UHFFFAOYSA-N
XLogP1.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate
CID 60565308
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814
methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate
CID 65477944
3-[3-hydroxypropyl-[(4-methoxyphenyl)methyl]amino]propanoic acid
CID 82330132
methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952798
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 91836949
N'-[(4-chlorophenyl)methyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;oxalic acid
CID 2845951
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 103887243
methyl 2-[3-(4-chlorophenoxy)propyl-methylamino]acetate
CID 60670349
1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-[(2R)-3-methylbutan-2-yl]urea
CID 126448790

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate (CID 110908434) is methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate is COC(=O)CN(CCCO)Cc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate?
The InChIKey is CEIQGVOLIICXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-18-13(17)10-15(7-2-8-16)9-11-3-5-12(14)6-4-11/h3-6,16H,2,7-10H2,1H3.
What are the key properties of methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate?
methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate has a molecular weight of 271.74 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate is sourced from PubChem (CID 110908434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).