tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate

C16H23ClN2O2 — CID 115059198

IUPACtert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccccc2Cl)CCCN1
InChIInChI=1S/C16H23ClN2O2/c1-15(2,3)21-14(20)18-11-16(9-6-10-19-16)12-7-4-5-8-13(12)17/h4-5,7-8,19H,6,9-11H2,1-3H3,(H,18,20)
InChIKeyODBAKUCUCJRCQU-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.44
Rot. Bonds3

About tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate

tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate (PubChem CID 115059198) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate
PubChem CID115059198
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Nametert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccccc2Cl)CCCN1
InChIInChI=1S/C16H23ClN2O2/c1-15(2,3)21-14(20)18-11-16(9-6-10-19-16)12-7-4-5-8-13(12)17/h4-5,7-8,19H,6,9-11H2,1-3H3,(H,18,20)
InChIKeyODBAKUCUCJRCQU-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(2-fluorophenyl)azetidin-2-yl]methyl]carbamate
CID 115059181
2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine
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tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate
CID 115059191
tert-butyl N-[1-(2-chlorophenyl)-2,3-dihydroxycyclopentyl]carbamate
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tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
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tert-butyl N-[(3R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl]carbamate
CID 146605293
methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate
CID 142619997
tert-butyl N-[2-(2-amino-6-chloroanilino)ethyl]carbamate
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tert-butyl N-[[1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 70298157
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 154702927
tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate
CID 84730749

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate (CID 115059198) is tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(c2ccccc2Cl)CCCN1.
What is the InChIKey of tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate?
The InChIKey is ODBAKUCUCJRCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-15(2,3)21-14(20)18-11-16(9-6-10-19-16)12-7-4-5-8-13(12)17/h4-5,7-8,19H,6,9-11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate?
tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate has a molecular weight of 310.83 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 115059198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).