tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate

C14H21ClN2O2 — CID 25209338

IUPACtert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCN)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)19-13(18)17(8-7-16)10-11-5-4-6-12(15)9-11/h4-6,9H,7-8,10,16H2,1-3H3
InChIKeyYHWKCNRRJLAITQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.04
Rot. Bonds4

About tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate

tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate (PubChem CID 25209338) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate
PubChem CID25209338
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Nametert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCN)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)19-13(18)17(8-7-16)10-11-5-4-6-12(15)9-11/h4-6,9H,7-8,10,16H2,1-3H3
InChIKeyYHWKCNRRJLAITQ-UHFFFAOYSA-N
XLogP3.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 25209043
tert-butyl N-[(3-chlorophenyl)methyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
CID 139930735
tert-butyl N-[(3-aminophenyl)methyl]-N-[3-(3-aminophenyl)propyl]carbamate
CID 129253519
2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 39358840
tert-butyl 2-[(3-chlorophenyl)methyl-methylamino]acetate
CID 123748358
tert-butyl N-[(4-chlorophenyl)methyl]-N-[2-(methylamino)ethyl]carbamate
CID 25209344
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate
CID 155923548
2-[(4-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39422832
tert-butyl N-[(3-chlorophenyl)methyl]-N-[(4-oxo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-7-yl)methyl]carbamate
CID 15429328
2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
CID 39357180
methyl 2-[[3-(bromomethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 131722439

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate (CID 25209338) is tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate is CC(C)(C)OC(=O)N(CCN)Cc1cccc(Cl)c1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate?
The InChIKey is YHWKCNRRJLAITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)19-13(18)17(8-7-16)10-11-5-4-6-12(15)9-11/h4-6,9H,7-8,10,16H2,1-3H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate?
tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate has a molecular weight of 284.79 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate is sourced from PubChem (CID 25209338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).