(4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride

C15H23ClN2O2 — CID 138396593

IUPAC(4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride
SMILESCc1ccc(COC(=O)NCCN2CCCC2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-13-4-6-14(7-5-13)12-19-15(18)16-8-11-17-9-2-3-10-17;/h4-7H,2-3,8-12H2,1H3,(H,16,18);1H
InChIKeyAGRDRJFMKALPCI-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.74
Rot. Bonds5

About (4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride

(4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride (PubChem CID 138396593) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride.

Molecular Properties

Compound Name(4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride
PubChem CID138396593
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride
SMILESCc1ccc(COC(=O)NCCN2CCCC2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-13-4-6-14(7-5-13)12-19-15(18)16-8-11-17-9-2-3-10-17;/h4-7H,2-3,8-12H2,1H3,(H,16,18);1H
InChIKeyAGRDRJFMKALPCI-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride
CID 138396592
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397607
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 106151650
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
benzyl N-[3-(azacyclotridec-1-yl)propyl]-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 11103740
benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate
CID 167312043
N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108517726
1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108899068
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride?
The IUPAC name of (4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride (CID 138396593) is (4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride.
What is the SMILES notation for (4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride?
The canonical SMILES for (4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride is Cc1ccc(COC(=O)NCCN2CCCC2)cc1.Cl.
What is the InChIKey of (4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride?
The InChIKey is AGRDRJFMKALPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-13-4-6-14(7-5-13)12-19-15(18)16-8-11-17-9-2-3-10-17;/h4-7H,2-3,8-12H2,1H3,(H,16,18);1H.
What are the key properties of (4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride?
(4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride is sourced from PubChem (CID 138396593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).