(4-bromophenyl) N-(3-aminopropyl)carbamate

C10H13BrN2O2 — CID 116819177

IUPAC(4-bromophenyl) N-(3-aminopropyl)carbamate
SMILESNCCCNC(=O)Oc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O2/c11-8-2-4-9(5-3-8)15-10(14)13-7-1-6-12/h2-5H,1,6-7,12H2,(H,13,14)
InChIKeyURMHMRIQPGDUST-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.89
Rot. Bonds4

About (4-bromophenyl) N-(3-aminopropyl)carbamate

(4-bromophenyl) N-(3-aminopropyl)carbamate (PubChem CID 116819177) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is (4-bromophenyl) N-(3-aminopropyl)carbamate.

Molecular Properties

Compound Name(4-bromophenyl) N-(3-aminopropyl)carbamate
PubChem CID116819177
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name(4-bromophenyl) N-(3-aminopropyl)carbamate
SMILESNCCCNC(=O)Oc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O2/c11-8-2-4-9(5-3-8)15-10(14)13-7-1-6-12/h2-5H,1,6-7,12H2,(H,13,14)
InChIKeyURMHMRIQPGDUST-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenoxy)carbonylamino]acetic acid
CID 82306718
(4-aminophenyl) N-butylcarbamate
CID 126552960
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
phenyl N-(3-bromopropyl)carbamate
CID 142499000
(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
CID 67180754
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
CID 119757498
[4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 176955321
(4-bromophenyl) N-(sulfonylmethyl)carbamate
CID 87609424
(4-bromophenyl) N-oxamoylcarbamate
CID 171934087
methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate
CID 2834246
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) N-(3-aminopropyl)carbamate?
The IUPAC name of (4-bromophenyl) N-(3-aminopropyl)carbamate (CID 116819177) is (4-bromophenyl) N-(3-aminopropyl)carbamate.
What is the SMILES notation for (4-bromophenyl) N-(3-aminopropyl)carbamate?
The canonical SMILES for (4-bromophenyl) N-(3-aminopropyl)carbamate is NCCCNC(=O)Oc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl) N-(3-aminopropyl)carbamate?
The InChIKey is URMHMRIQPGDUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-8-2-4-9(5-3-8)15-10(14)13-7-1-6-12/h2-5H,1,6-7,12H2,(H,13,14).
What are the key properties of (4-bromophenyl) N-(3-aminopropyl)carbamate?
(4-bromophenyl) N-(3-aminopropyl)carbamate has a molecular weight of 273.13 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) N-(3-aminopropyl)carbamate is sourced from PubChem (CID 116819177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).