(3-amino-4-benzylphenyl) formate

C14H13NO2 — CID 158130008

IUPAC(3-amino-4-benzylphenyl) formate
SMILESNc1cc(OC=O)ccc1Cc1ccccc1
InChIInChI=1S/C14H13NO2/c15-14-9-13(17-10-16)7-6-12(14)8-11-4-2-1-3-5-11/h1-7,9-10H,8,15H2
InChIKeyXRIDYGLYFDFNKX-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.39
Rot. Bonds4

About (3-amino-4-benzylphenyl) formate

(3-amino-4-benzylphenyl) formate (PubChem CID 158130008) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (3-amino-4-benzylphenyl) formate.

Molecular Properties

Compound Name(3-amino-4-benzylphenyl) formate
PubChem CID158130008
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(3-amino-4-benzylphenyl) formate
SMILESNc1cc(OC=O)ccc1Cc1ccccc1
InChIInChI=1S/C14H13NO2/c15-14-9-13(17-10-16)7-6-12(14)8-11-4-2-1-3-5-11/h1-7,9-10H,8,15H2
InChIKeyXRIDYGLYFDFNKX-UHFFFAOYSA-N
XLogP2.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.39
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-benzyl-5-methoxyaniline;ethane
CID 142463807
(2-benzylphenyl) formate
CID 146231957
3-[(2-amino-4-methoxyphenyl)methyl]phenol
CID 105486633
λ2-plumbane;phenyl formate
CID 174910364
acetic acid;2-benzylaniline
CID 174872932
2,4-dibenzyl-6-ethylaniline
CID 175391866
2-benzyl-5-phenylbenzene-1,4-diamine
CID 141053780
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
CID 175226407
CID 175226407
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
2-benzyl-5-chlorobenzaldehyde
CID 121230690
4-benzyl-3-methylaniline
CID 12846586

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-benzylphenyl) formate?
The IUPAC name of (3-amino-4-benzylphenyl) formate (CID 158130008) is (3-amino-4-benzylphenyl) formate.
What is the SMILES notation for (3-amino-4-benzylphenyl) formate?
The canonical SMILES for (3-amino-4-benzylphenyl) formate is Nc1cc(OC=O)ccc1Cc1ccccc1.
What is the InChIKey of (3-amino-4-benzylphenyl) formate?
The InChIKey is XRIDYGLYFDFNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c15-14-9-13(17-10-16)7-6-12(14)8-11-4-2-1-3-5-11/h1-7,9-10H,8,15H2.
What are the key properties of (3-amino-4-benzylphenyl) formate?
(3-amino-4-benzylphenyl) formate has a molecular weight of 227.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-benzylphenyl) formate is sourced from PubChem (CID 158130008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).