(2-amino-3-methylphenyl) formate

C8H9NO2 — CID 163024542

IUPAC(2-amino-3-methylphenyl) formate
SMILESCc1cccc(OC=O)c1N
InChIInChI=1S/C8H9NO2/c1-6-3-2-4-7(8(6)9)11-5-10/h2-5H,9H2,1H3
InChIKeyPYEMETQKMKPNSV-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.11
Rot. Bonds2

About (2-amino-3-methylphenyl) formate

(2-amino-3-methylphenyl) formate (PubChem CID 163024542) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (2-amino-3-methylphenyl) formate.

Molecular Properties

Compound Name(2-amino-3-methylphenyl) formate
PubChem CID163024542
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(2-amino-3-methylphenyl) formate
SMILESCc1cccc(OC=O)c1N
InChIInChI=1S/C8H9NO2/c1-6-3-2-4-7(8(6)9)11-5-10/h2-5H,9H2,1H3
InChIKeyPYEMETQKMKPNSV-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-fluorophenyl) formate
CID 174830716
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
2-methyl-6-trimethylsilyloxyaniline
CID 90457912
(3-hydroxy-2-methylphenyl) formate
CID 153313230
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
2-(2-aminoethoxy)-6-methylaniline
CID 82502971
[3-methyl-2-(2-methyl-4-oxopentan-2-yl)phenyl] formate
CID 170949266
2-methyl-6-(3-methylbut-2-enoxy)aniline
CID 107899463
(2-amino-3-methylphenyl) trifluoromethanesulfonate
CID 91659005
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508
(5-methoxynaphthalen-1-yl) formate
CID 11447000
3-methylbenzene-1,2-diamine
CID 162019775

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl) formate?
The IUPAC name of (2-amino-3-methylphenyl) formate (CID 163024542) is (2-amino-3-methylphenyl) formate.
What is the SMILES notation for (2-amino-3-methylphenyl) formate?
The canonical SMILES for (2-amino-3-methylphenyl) formate is Cc1cccc(OC=O)c1N.
What is the InChIKey of (2-amino-3-methylphenyl) formate?
The InChIKey is PYEMETQKMKPNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-3-2-4-7(8(6)9)11-5-10/h2-5H,9H2,1H3.
What are the key properties of (2-amino-3-methylphenyl) formate?
(2-amino-3-methylphenyl) formate has a molecular weight of 151.16 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl) formate is sourced from PubChem (CID 163024542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).