3-phenylmethoxybenzene-1,2-diamine;hydrochloride

C13H15ClN2O — CID 172882825

IUPAC3-phenylmethoxybenzene-1,2-diamine;hydrochloride
SMILESCl.Nc1cccc(OCc2ccccc2)c1N
InChIInChI=1S/C13H14N2O.ClH/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10;/h1-8H,9,14-15H2;1H
InChIKeyTUVHNNDXWPKTET-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.85
Rot. Bonds3

About 3-phenylmethoxybenzene-1,2-diamine;hydrochloride

3-phenylmethoxybenzene-1,2-diamine;hydrochloride (PubChem CID 172882825) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-phenylmethoxybenzene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name3-phenylmethoxybenzene-1,2-diamine;hydrochloride
PubChem CID172882825
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-phenylmethoxybenzene-1,2-diamine;hydrochloride
SMILESCl.Nc1cccc(OCc2ccccc2)c1N
InChIInChI=1S/C13H14N2O.ClH/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10;/h1-8H,9,14-15H2;1H
InChIKeyTUVHNNDXWPKTET-UHFFFAOYSA-N
XLogP2.85
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-3-phenylmethoxyaniline
CID 68789108
2-(4-aminophenyl)-6-phenylmethoxyaniline
CID 68786338
2-cyclopropyl-3-phenylmethoxyaniline
CID 171391047
4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
CID 164512461
1-(2-amino-3-phenylmethoxyphenyl)propane-1-thiol
CID 141043165
2-(pyridin-4-ylmethoxy)aniline
CID 16788077
6-phenylmethoxyquinolin-5-amine
CID 43809775
4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
CID 131854935
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
3-(2-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 171854760
5-phenylmethoxynaphthalen-2-amine
CID 129054622
2-phenylmethoxybenzenediazonium
CID 11334097

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxybenzene-1,2-diamine;hydrochloride?
The IUPAC name of 3-phenylmethoxybenzene-1,2-diamine;hydrochloride (CID 172882825) is 3-phenylmethoxybenzene-1,2-diamine;hydrochloride.
What is the SMILES notation for 3-phenylmethoxybenzene-1,2-diamine;hydrochloride?
The canonical SMILES for 3-phenylmethoxybenzene-1,2-diamine;hydrochloride is Cl.Nc1cccc(OCc2ccccc2)c1N.
What is the InChIKey of 3-phenylmethoxybenzene-1,2-diamine;hydrochloride?
The InChIKey is TUVHNNDXWPKTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.ClH/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10;/h1-8H,9,14-15H2;1H.
What are the key properties of 3-phenylmethoxybenzene-1,2-diamine;hydrochloride?
3-phenylmethoxybenzene-1,2-diamine;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxybenzene-1,2-diamine;hydrochloride is sourced from PubChem (CID 172882825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).