[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride

C9H12Cl2N2O2 — CID 68646285

IUPAC[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
SMILESCl.NC(=O)OCC(N)c1ccccc1Cl
InChIInChI=1S/C9H11ClN2O2.ClH/c10-7-4-2-1-3-6(7)8(11)5-14-9(12)13;/h1-4,8H,5,11H2,(H2,12,13);1H
InChIKeyMTPRCDCWUJTQJE-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.86
Rot. Bonds3

About [2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride

[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride (PubChem CID 68646285) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is [2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride.

Molecular Properties

Compound Name[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
PubChem CID68646285
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
SMILESCl.NC(=O)OCC(N)c1ccccc1Cl
InChIInChI=1S/C9H11ClN2O2.ClH/c10-7-4-2-1-3-6(7)8(11)5-14-9(12)13;/h1-4,8H,5,11H2,(H2,12,13);1H
InChIKeyMTPRCDCWUJTQJE-UHFFFAOYSA-N
XLogP1.86
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride
CID 68646408
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
[(2S)-3-carbamoyloxy-2-(2-chlorophenyl)propyl] acetate
CID 67573538
[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate
CID 174774368
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724924
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
3-(2-chlorophenyl)pentanediamide
CID 13034531
[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
CID 147632611
2-(2-chlorophenyl)-2-fluoroacetamide
CID 115017416
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid
CID 67066199

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride?
The IUPAC name of [2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride (CID 68646285) is [2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride.
What is the SMILES notation for [2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride?
The canonical SMILES for [2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride is Cl.NC(=O)OCC(N)c1ccccc1Cl.
What is the InChIKey of [2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride?
The InChIKey is MTPRCDCWUJTQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2.ClH/c10-7-4-2-1-3-6(7)8(11)5-14-9(12)13;/h1-4,8H,5,11H2,(H2,12,13);1H.
What are the key properties of [2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride?
[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride has a molecular weight of 251.11 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride is sourced from PubChem (CID 68646285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).