(2-aminophenyl) pentyl carbonate

C12H17NO3 — CID 139745164

IUPAC(2-aminophenyl) pentyl carbonate
SMILESCCCCCOC(=O)Oc1ccccc1N
InChIInChI=1S/C12H17NO3/c1-2-3-6-9-15-12(14)16-11-8-5-4-7-10(11)13/h4-5,7-8H,2-3,6,9,13H2,1H3
InChIKeyVKKWDJLFGGAJON-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.97
Rot. Bonds5

About (2-aminophenyl) pentyl carbonate

(2-aminophenyl) pentyl carbonate (PubChem CID 139745164) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2-aminophenyl) pentyl carbonate.

Molecular Properties

Compound Name(2-aminophenyl) pentyl carbonate
PubChem CID139745164
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2-aminophenyl) pentyl carbonate
SMILESCCCCCOC(=O)Oc1ccccc1N
InChIInChI=1S/C12H17NO3/c1-2-3-6-9-15-12(14)16-11-8-5-4-7-10(11)13/h4-5,7-8H,2-3,6,9,13H2,1H3
InChIKeyVKKWDJLFGGAJON-UHFFFAOYSA-N
XLogP2.97
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-yl pentyl carbonate
CID 175011067
[2-[(2-octoxycarbonyloxyphenyl)methyl]phenyl] octyl carbonate
CID 150788215
octyl (2-pentylphenyl) carbonate
CID 67181173
(2-butylphenyl) hexyl carbonate
CID 67178148
hexyl (2-propylphenyl) carbonate
CID 67179757
hexyl (2-phenylphenyl) carbonate
CID 67180373
chrysen-1-yl hexyl carbonate
CID 175200150
octyl [2-(trifluoromethyl)phenyl] carbonate
CID 154202419
2-octoxyaniline
CID 14747235
butyl (2-decylphenyl) carbonate
CID 67182932
(2-butoxycarbonyloxyphenyl) 2-methylpropyl carbonate
CID 91704527
(2,3-dipentylphenyl) pentyl carbonate
CID 67178125

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl) pentyl carbonate?
The IUPAC name of (2-aminophenyl) pentyl carbonate (CID 139745164) is (2-aminophenyl) pentyl carbonate.
What is the SMILES notation for (2-aminophenyl) pentyl carbonate?
The canonical SMILES for (2-aminophenyl) pentyl carbonate is CCCCCOC(=O)Oc1ccccc1N.
What is the InChIKey of (2-aminophenyl) pentyl carbonate?
The InChIKey is VKKWDJLFGGAJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-3-6-9-15-12(14)16-11-8-5-4-7-10(11)13/h4-5,7-8H,2-3,6,9,13H2,1H3.
What are the key properties of (2-aminophenyl) pentyl carbonate?
(2-aminophenyl) pentyl carbonate has a molecular weight of 223.27 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl) pentyl carbonate is sourced from PubChem (CID 139745164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).