[2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate

C13H21N3O2 — CID 79679946

IUPAC[2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate
SMILESCN(C)C(C)(C)COC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H21N3O2/c1-13(2,16(3)4)9-18-12(17)15-11-7-5-10(14)6-8-11/h5-8H,9,14H2,1-4H3,(H,15,17)
InChIKeyKKGDXZQLXRNCRQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.16
Rot. Bonds4

About [2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate

[2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate (PubChem CID 79679946) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate
PubChem CID79679946
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate
SMILESCN(C)C(C)(C)COC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H21N3O2/c1-13(2,16(3)4)9-18-12(17)15-11-7-5-10(14)6-8-11/h5-8H,9,14H2,1-4H3,(H,15,17)
InChIKeyKKGDXZQLXRNCRQ-UHFFFAOYSA-N
XLogP2.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methylbutyl N-(4-aminophenyl)carbamate;hydrochloride
CID 24836337
(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate
CID 89344820
4-bromoaniline;tert-butyl N-(4-bromophenyl)carbamate
CID 158972622
(4-aminophenyl)carbamoyl propaneperoxoate
CID 140585869
tert-butyl N-[4-[2-(4-aminophenyl)ethynyl]phenyl]carbamate
CID 59266671
2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate
CID 141231042
N-(4-aminophenyl)-2,3,3-trimethylbutanamide
CID 89148503
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
2,2,2-trifluoroethyl N-[4-(diethylamino)phenyl]carbamate
CID 63180338
N-(4-aminophenyl)-3-methoxy-3-methylbutanamide
CID 103017558
2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate
CID 59019482
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate?
The IUPAC name of [2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate (CID 79679946) is [2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate.
What is the SMILES notation for [2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate?
The canonical SMILES for [2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate is CN(C)C(C)(C)COC(=O)Nc1ccc(N)cc1.
What is the InChIKey of [2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate?
The InChIKey is KKGDXZQLXRNCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,16(3)4)9-18-12(17)15-11-7-5-10(14)6-8-11/h5-8H,9,14H2,1-4H3,(H,15,17).
What are the key properties of [2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate?
[2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate is sourced from PubChem (CID 79679946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).