(3-amino-4-methylphenyl) N-tert-butylcarbamate

C12H18N2O2 — CID 68878688

IUPAC(3-amino-4-methylphenyl) N-tert-butylcarbamate
SMILESCc1ccc(OC(=O)NC(C)(C)C)cc1N
InChIInChI=1S/C12H18N2O2/c1-8-5-6-9(7-10(8)13)16-11(15)14-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeySRJHPMNKCAMKPB-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.46
Rot. Bonds1

About (3-amino-4-methylphenyl) N-tert-butylcarbamate

(3-amino-4-methylphenyl) N-tert-butylcarbamate (PubChem CID 68878688) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-amino-4-methylphenyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3-amino-4-methylphenyl) N-tert-butylcarbamate
PubChem CID68878688
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3-amino-4-methylphenyl) N-tert-butylcarbamate
SMILESCc1ccc(OC(=O)NC(C)(C)C)cc1N
InChIInChI=1S/C12H18N2O2/c1-8-5-6-9(7-10(8)13)16-11(15)14-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeySRJHPMNKCAMKPB-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-4-methylphenyl) acetate
CID 66838768
[3-amino-4-[[(2S)-oxetan-2-yl]methylamino]phenyl] N-tert-butylcarbamate
CID 175450962
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate
CID 141158237
3-amino-N-tert-butyl-4-methylbenzamide
CID 12607979
(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
CID 174705376
5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
CID 11311209
(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate
CID 91617195
(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
CID 174570423
(3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate
CID 70557166
(3-ethynylphenyl) N-tert-butylcarbamate
CID 174589897
(4-amino-3-methylphenyl) 2,2-dimethylpropanoate
CID 19810868

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl) N-tert-butylcarbamate?
The IUPAC name of (3-amino-4-methylphenyl) N-tert-butylcarbamate (CID 68878688) is (3-amino-4-methylphenyl) N-tert-butylcarbamate.
What is the SMILES notation for (3-amino-4-methylphenyl) N-tert-butylcarbamate?
The canonical SMILES for (3-amino-4-methylphenyl) N-tert-butylcarbamate is Cc1ccc(OC(=O)NC(C)(C)C)cc1N.
What is the InChIKey of (3-amino-4-methylphenyl) N-tert-butylcarbamate?
The InChIKey is SRJHPMNKCAMKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-6-9(7-10(8)13)16-11(15)14-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15).
What are the key properties of (3-amino-4-methylphenyl) N-tert-butylcarbamate?
(3-amino-4-methylphenyl) N-tert-butylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl) N-tert-butylcarbamate is sourced from PubChem (CID 68878688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).