methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate

C13H19ClN2O2 — CID 102662972

IUPACmethyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)Cc1ccc(CN)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-16(9-13(17)18-2)8-11-5-4-10(7-15)6-12(11)14/h4-6H,3,7-9,15H2,1-2H3
InChIKeyYDAILAQPIMYEJY-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.79
Rot. Bonds6

About methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate

methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate (PubChem CID 102662972) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate
PubChem CID102662972
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Namemethyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)Cc1ccc(CN)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-16(9-13(17)18-2)8-11-5-4-10(7-15)6-12(11)14/h4-6H,3,7-9,15H2,1-2H3
InChIKeyYDAILAQPIMYEJY-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-propan-2-ylamino]acetate
CID 102662967
methyl 2-[[5-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63382910
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252
N'-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991694
3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol
CID 102663095
1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 102663034
methyl 2-[(4-chloro-2-fluorophenyl)methyl-ethylamino]acetate
CID 114857988
methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate
CID 65477944
methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-ethylamino]acetate
CID 62890414
methyl 2-[(2-chloro-3-fluorophenyl)methyl-ethylamino]acetate
CID 112550265
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 106785344

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate?
The IUPAC name of methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate (CID 102662972) is methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate.
What is the SMILES notation for methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate?
The canonical SMILES for methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate is CCN(CC(=O)OC)Cc1ccc(CN)cc1Cl.
What is the InChIKey of methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate?
The InChIKey is YDAILAQPIMYEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16(9-13(17)18-2)8-11-5-4-10(7-15)6-12(11)14/h4-6H,3,7-9,15H2,1-2H3.
What are the key properties of methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate?
methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate has a molecular weight of 270.76 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate is sourced from PubChem (CID 102662972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).