2-N-(2-phenoxyethyl)benzene-1,2-diamine

C14H16N2O — CID 2295787

IUPAC2-N-(2-phenoxyethyl)benzene-1,2-diamine
SMILESNc1ccccc1NCCOc1ccccc1
InChIInChI=1S/C14H16N2O/c15-13-8-4-5-9-14(13)16-10-11-17-12-6-2-1-3-7-12/h1-9,16H,10-11,15H2
InChIKeyPYRLCNHZSHDZFM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.76
Rot. Bonds5

About 2-N-(2-phenoxyethyl)benzene-1,2-diamine

2-N-(2-phenoxyethyl)benzene-1,2-diamine (PubChem CID 2295787) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-(2-phenoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-phenoxyethyl)benzene-1,2-diamine
PubChem CID2295787
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-N-(2-phenoxyethyl)benzene-1,2-diamine
SMILESNc1ccccc1NCCOc1ccccc1
InChIInChI=1S/C14H16N2O/c15-13-8-4-5-9-14(13)16-10-11-17-12-6-2-1-3-7-12/h1-9,16H,10-11,15H2
InChIKeyPYRLCNHZSHDZFM-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(2-phenoxyethyl)benzene-1,2-diamine 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

2-amino-3-(2-phenoxyethylamino)benzonitrile
CID 104716563
2-N-[2-(9H-carbazol-2-yloxy)ethyl]benzene-1,2-diamine
CID 173239314
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
4-bromo-5-fluoro-1-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 66110147
3-amino-4-(3-phenoxypropylamino)benzoic acid
CID 62378598
2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline
CID 65030325
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 63593234
5-amino-2-(2-phenoxyethylamino)benzonitrile
CID 55013137
2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
CID 126467495
1-chloro-3-[2-(2-phenoxyethylamino)anilino]propan-2-ol
CID 168637327

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenoxyethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-phenoxyethyl)benzene-1,2-diamine (CID 2295787) is 2-N-(2-phenoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-phenoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-phenoxyethyl)benzene-1,2-diamine is Nc1ccccc1NCCOc1ccccc1.
What is the InChIKey of 2-N-(2-phenoxyethyl)benzene-1,2-diamine?
The InChIKey is PYRLCNHZSHDZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-13-8-4-5-9-14(13)16-10-11-17-12-6-2-1-3-7-12/h1-9,16H,10-11,15H2.
What are the key properties of 2-N-(2-phenoxyethyl)benzene-1,2-diamine?
2-N-(2-phenoxyethyl)benzene-1,2-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 2295787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).