(3-bromophenyl) N-(1-aminopropan-2-yl)carbamate

C10H13BrN2O2 — CID 83826083

IUPAC(3-bromophenyl) N-(1-aminopropan-2-yl)carbamate
SMILESCC(CN)NC(=O)Oc1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-7(6-12)13-10(14)15-9-4-2-3-8(11)5-9/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyXVXOHGHWKNZMAK-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.88
Rot. Bonds3

About (3-bromophenyl) N-(1-aminopropan-2-yl)carbamate

(3-bromophenyl) N-(1-aminopropan-2-yl)carbamate (PubChem CID 83826083) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is (3-bromophenyl) N-(1-aminopropan-2-yl)carbamate.

Molecular Properties

Compound Name(3-bromophenyl) N-(1-aminopropan-2-yl)carbamate
PubChem CID83826083
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name(3-bromophenyl) N-(1-aminopropan-2-yl)carbamate
SMILESCC(CN)NC(=O)Oc1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-7(6-12)13-10(14)15-9-4-2-3-8(11)5-9/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyXVXOHGHWKNZMAK-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
(3-chlorophenyl) N-pentan-2-ylcarbamate
CID 174677253
phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 115674676
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
(2,4-dimethylphenyl) N-(1-aminopropan-2-yl)carbamate
CID 83822856
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide
CID 120504701
(3-bromophenyl) 2-hydroxyacetate
CID 130732790
N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119586507
propan-2-yl 2-(3-bromophenoxy)prop-2-enoate
CID 175389875
N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119584143

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl) N-(1-aminopropan-2-yl)carbamate?
The IUPAC name of (3-bromophenyl) N-(1-aminopropan-2-yl)carbamate (CID 83826083) is (3-bromophenyl) N-(1-aminopropan-2-yl)carbamate.
What is the SMILES notation for (3-bromophenyl) N-(1-aminopropan-2-yl)carbamate?
The canonical SMILES for (3-bromophenyl) N-(1-aminopropan-2-yl)carbamate is CC(CN)NC(=O)Oc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl) N-(1-aminopropan-2-yl)carbamate?
The InChIKey is XVXOHGHWKNZMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7(6-12)13-10(14)15-9-4-2-3-8(11)5-9/h2-5,7H,6,12H2,1H3,(H,13,14).
What are the key properties of (3-bromophenyl) N-(1-aminopropan-2-yl)carbamate?
(3-bromophenyl) N-(1-aminopropan-2-yl)carbamate has a molecular weight of 273.13 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl) N-(1-aminopropan-2-yl)carbamate is sourced from PubChem (CID 83826083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).