2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate

C16H19N3O2 — CID 70032547

IUPAC2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C16H19N3O2/c1-16(2,21-15(18)20)11-7-9-12(10-8-11)19-14-6-4-3-5-13(14)17/h3-10,19H,17H2,1-2H3,(H2,18,20)
InChIKeyCPMZYLNKIASHKK-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.34
Rot. Bonds4

About 2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate

2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate (PubChem CID 70032547) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate.

Molecular Properties

Compound Name2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate
PubChem CID70032547
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C16H19N3O2/c1-16(2,21-15(18)20)11-7-9-12(10-8-11)19-14-6-4-3-5-13(14)17/h3-10,19H,17H2,1-2H3,(H2,18,20)
InChIKeyCPMZYLNKIASHKK-UHFFFAOYSA-N
XLogP3.34
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-aminoanilino)benzoate
CID 68667054
1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828
2-phenylpropan-2-yl carbamate;propane
CID 175117543
tert-butyl N-[3-(2-aminoanilino)phenyl]carbamate
CID 129052010
[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone
CID 11324104
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
[4-(2-aminoanilino)phenyl]-(2-chlorophenyl)methanone
CID 18358121
2-(4-tert-butylanilino)benzenecarbothioamide
CID 28534235
2-N-(4-nitrophenyl)benzene-1,2-diamine
CID 13095074
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61315174

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate?
The IUPAC name of 2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate (CID 70032547) is 2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate.
What is the SMILES notation for 2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate?
The canonical SMILES for 2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate is CC(C)(OC(N)=O)c1ccc(Nc2ccccc2N)cc1.
What is the InChIKey of 2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate?
The InChIKey is CPMZYLNKIASHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,21-15(18)20)11-7-9-12(10-8-11)19-14-6-4-3-5-13(14)17/h3-10,19H,17H2,1-2H3,(H2,18,20).
What are the key properties of 2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate?
2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate has a molecular weight of 285.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate is sourced from PubChem (CID 70032547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).