(2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride

C16H25ClN2O2 — CID 138396592

IUPAC(2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride
SMILESCc1cccc(C)c1COC(=O)NCCN1CCCC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13-6-5-7-14(2)15(13)12-20-16(19)17-8-11-18-9-3-4-10-18;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H
InChIKeyWPJMLKQEFRMDGM-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.05
Rot. Bonds5

About (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride

(2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride (PubChem CID 138396592) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride.

Molecular Properties

Compound Name(2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride
PubChem CID138396592
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride
SMILESCc1cccc(C)c1COC(=O)NCCN1CCCC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13-6-5-7-14(2)15(13)12-20-16(19)17-8-11-18-9-3-4-10-18;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H
InChIKeyWPJMLKQEFRMDGM-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride
CID 138396593
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
[2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate
CID 142022844
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397607
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
benzhydryl N-(2-piperidin-1-ylethyl)carbamate
CID 171986616
N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline
CID 54807240
2-pyrrolidin-1-ylethylurea;dihydrochloride
CID 174538220
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride?
The IUPAC name of (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride (CID 138396592) is (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride.
What is the SMILES notation for (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride?
The canonical SMILES for (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride is Cc1cccc(C)c1COC(=O)NCCN1CCCC1.Cl.
What is the InChIKey of (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride?
The InChIKey is WPJMLKQEFRMDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-13-6-5-7-14(2)15(13)12-20-16(19)17-8-11-18-9-3-4-10-18;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H.
What are the key properties of (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride?
(2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride is sourced from PubChem (CID 138396592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).