(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate

C12H16N2O2 — CID 89344820

IUPAC(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate
SMILESCC1(COC(=O)Nc2ccc(N)cc2)CC1
InChIInChI=1S/C12H16N2O2/c1-12(6-7-12)8-16-11(15)14-10-4-2-9(13)3-5-10/h2-5H,6-8,13H2,1H3,(H,14,15)
InChIKeySNUXUJAUWQSQGP-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.62
Rot. Bonds3

About (1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate

(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate (PubChem CID 89344820) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate.

Molecular Properties

Compound Name(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate
PubChem CID89344820
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate
SMILESCC1(COC(=O)Nc2ccc(N)cc2)CC1
InChIInChI=1S/C12H16N2O2/c1-12(6-7-12)8-16-11(15)14-10-4-2-9(13)3-5-10/h2-5H,6-8,13H2,1H3,(H,14,15)
InChIKeySNUXUJAUWQSQGP-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
[2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate
CID 79679946
(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
(3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate
CID 139809079
(4-aminophenyl)carbamoyl propaneperoxoate
CID 140585869
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
CID 79337548
(4-aminophenyl)carbamoyl cyclopropanecarboxylate
CID 175187353
[(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
CID 7263551
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate?
The IUPAC name of (1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate (CID 89344820) is (1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate.
What is the SMILES notation for (1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate?
The canonical SMILES for (1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate is CC1(COC(=O)Nc2ccc(N)cc2)CC1.
What is the InChIKey of (1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate?
The InChIKey is SNUXUJAUWQSQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(6-7-12)8-16-11(15)14-10-4-2-9(13)3-5-10/h2-5H,6-8,13H2,1H3,(H,14,15).
What are the key properties of (1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate?
(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate has a molecular weight of 220.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate is sourced from PubChem (CID 89344820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).