[4-(2-aminoethyl)phenyl] N-propylcarbamate

C12H18N2O2 — CID 79338383

IUPAC[4-(2-aminoethyl)phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc(CCN)cc1
InChIInChI=1S/C12H18N2O2/c1-2-9-14-12(15)16-11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeyWKYUVMUMWYXGPP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.69
Rot. Bonds5

About [4-(2-aminoethyl)phenyl] N-propylcarbamate

[4-(2-aminoethyl)phenyl] N-propylcarbamate (PubChem CID 79338383) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl] N-propylcarbamate.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl] N-propylcarbamate
PubChem CID79338383
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[4-(2-aminoethyl)phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc(CCN)cc1
InChIInChI=1S/C12H18N2O2/c1-2-9-14-12(15)16-11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeyWKYUVMUMWYXGPP-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(2-aminoethyl)phenyl] N-propylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-aminoethyl)phenyl] N-ethylcarbamate
CID 79337248
[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate
CID 58962186
(4-aminophenyl) N-butylcarbamate
CID 126552960
[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate
CID 79341773
N-[4-(2-aminoethyl)phenoxy]propan-1-amine
CID 143485365
[4-(2-aminoethyl)phenyl] hydrogen carbonate;hydrochloride
CID 171616803
[4-[[3,5-bis[[4-(butylcarbamoyloxy)phenyl]methyl]phenyl]methyl]phenyl] N-butylcarbamate
CID 101189990
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
CID 112738600
(4-aminophenyl)methyl N-propylcarbamate
CID 142910481
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 158927905

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl] N-propylcarbamate?
The IUPAC name of [4-(2-aminoethyl)phenyl] N-propylcarbamate (CID 79338383) is [4-(2-aminoethyl)phenyl] N-propylcarbamate.
What is the SMILES notation for [4-(2-aminoethyl)phenyl] N-propylcarbamate?
The canonical SMILES for [4-(2-aminoethyl)phenyl] N-propylcarbamate is CCCNC(=O)Oc1ccc(CCN)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl] N-propylcarbamate?
The InChIKey is WKYUVMUMWYXGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-9-14-12(15)16-11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3,(H,14,15).
What are the key properties of [4-(2-aminoethyl)phenyl] N-propylcarbamate?
[4-(2-aminoethyl)phenyl] N-propylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl] N-propylcarbamate is sourced from PubChem (CID 79338383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).