[2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid

C13H19ClN2O2 — CID 67066199

IUPAC[2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC(N)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)16(12(17)18)8-11(15)9-6-4-5-7-10(9)14/h4-7,11H,8,15H2,1-3H3,(H,17,18)
InChIKeyQLBTWLRJVYTIOJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.12
Rot. Bonds3

About [2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid

[2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid (PubChem CID 67066199) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid
PubChem CID67066199
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC(N)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)16(12(17)18)8-11(15)9-6-4-5-7-10(9)14/h4-7,11H,8,15H2,1-3H3,(H,17,18)
InChIKeyQLBTWLRJVYTIOJ-UHFFFAOYSA-N
XLogP3.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid
CID 68602940
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
CID 68646285
tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
CID 51601253
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
tert-butyl-[(1R,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
CID 66812753
(3S)-3-amino-3-(2-chlorophenyl)-2,2-difluoropropanoic acid
CID 53487758
tert-butyl-(3-oxo-2-phenylpropyl)carbamic acid
CID 87311511
2-amino-3-(2-chlorophenyl)-2-methylbutanoic acid
CID 118914338
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid?
The IUPAC name of [2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid (CID 67066199) is [2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid.
What is the SMILES notation for [2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid?
The canonical SMILES for [2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid is CC(C)(C)N(CC(N)c1ccccc1Cl)C(=O)O.
What is the InChIKey of [2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid?
The InChIKey is QLBTWLRJVYTIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,3)16(12(17)18)8-11(15)9-6-4-5-7-10(9)14/h4-7,11H,8,15H2,1-3H3,(H,17,18).
What are the key properties of [2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid?
[2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid has a molecular weight of 270.76 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid is sourced from PubChem (CID 67066199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).