2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine

C23H24N2O — CID 86689306

IUPAC2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine
SMILESNc1c(Nc2cccc(OCc3ccccc3)c2)ccc2c1CCCC2
InChIInChI=1S/C23H24N2O/c24-23-21-12-5-4-9-18(21)13-14-22(23)25-19-10-6-11-20(15-19)26-16-17-7-2-1-3-8-17/h1-3,6-8,10-11,13-15,25H,4-5,9,12,16,24H2
InChIKeyLTLKZVSNCDJQOM-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.47
Rot. Bonds5

About 2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine

2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine (PubChem CID 86689306) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine
PubChem CID86689306
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine
SMILESNc1c(Nc2cccc(OCc3ccccc3)c2)ccc2c1CCCC2
InChIInChI=1S/C23H24N2O/c24-23-21-12-5-4-9-18(21)13-14-22(23)25-19-10-6-11-20(15-19)26-16-17-7-2-1-3-8-17/h1-3,6-8,10-11,13-15,25H,4-5,9,12,16,24H2
InChIKeyLTLKZVSNCDJQOM-UHFFFAOYSA-N
XLogP5.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.47
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

4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
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CID 58564257
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
CID 169410438
N-benzyl-3-phenylmethoxyaniline
CID 54801332
1,2-bis(3-phenylmethoxyphenyl)guanidine
CID 22675624
3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
CID 22052676
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine (CID 86689306) is 2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine is Nc1c(Nc2cccc(OCc3ccccc3)c2)ccc2c1CCCC2.
What is the InChIKey of 2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine?
The InChIKey is LTLKZVSNCDJQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c24-23-21-12-5-4-9-18(21)13-14-22(23)25-19-10-6-11-20(15-19)26-16-17-7-2-1-3-8-17/h1-3,6-8,10-11,13-15,25H,4-5,9,12,16,24H2.
What are the key properties of 2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine?
2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine has a molecular weight of 344.46 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 86689306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).