[2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate

C13H18ClNO2 — CID 82533049

IUPAC[2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate
SMILESCC(=O)OCC(C)(C)NCc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-10(16)17-9-13(2,3)15-8-11-6-4-5-7-12(11)14/h4-7,15H,8-9H2,1-3H3
InChIKeyIRTBQAYSCYWXEP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.77
Rot. Bonds5

About [2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate

[2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate (PubChem CID 82533049) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate
PubChem CID82533049
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate
SMILESCC(=O)OCC(C)(C)NCc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-10(16)17-9-13(2,3)15-8-11-6-4-5-7-12(11)14/h4-7,15H,8-9H2,1-3H3
InChIKeyIRTBQAYSCYWXEP-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 119929106
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate
CID 113254769
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
1-[(2-chlorophenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914972
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 4722849
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
CID 61219594
(Z)-3-amino-2-[(2-chlorophenyl)methylamino]but-2-enoic acid
CID 143054332
[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate
CID 139916496

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate (CID 82533049) is [2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate is CC(=O)OCC(C)(C)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate?
The InChIKey is IRTBQAYSCYWXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(16)17-9-13(2,3)15-8-11-6-4-5-7-12(11)14/h4-7,15H,8-9H2,1-3H3.
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate?
[2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate has a molecular weight of 255.75 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate is sourced from PubChem (CID 82533049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).