1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine

C18H18N2O — CID 57231048

IUPAC1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine
SMILESCOc1ccc(C)cc1Nc1c(N)ccc2ccccc12
InChIInChI=1S/C18H18N2O/c1-12-7-10-17(21-2)16(11-12)20-18-14-6-4-3-5-13(14)8-9-15(18)19/h3-11,20H,19H2,1-2H3
InChIKeyQLVRJIJATYOOIB-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.48
Rot. Bonds3

About 1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine

1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine (PubChem CID 57231048) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine
PubChem CID57231048
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine
SMILESCOc1ccc(C)cc1Nc1c(N)ccc2ccccc12
InChIInChI=1S/C18H18N2O/c1-12-7-10-17(21-2)16(11-12)20-18-14-6-4-3-5-13(14)8-9-15(18)19/h3-11,20H,19H2,1-2H3
InChIKeyQLVRJIJATYOOIB-UHFFFAOYSA-N
XLogP4.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.48
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-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-2,3-diamine
CID 81131819
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine
CID 54902891
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
CID 971903
N-(2-methoxy-5-methylphenyl)-4-methylquinolin-2-amine
CID 619056
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
CID 101202824
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504
N-(2-methoxy-5-methylphenyl)-1H-indazol-3-amine
CID 166128556
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435483

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine?
The IUPAC name of 1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine (CID 57231048) is 1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine is COc1ccc(C)cc1Nc1c(N)ccc2ccccc12.
What is the InChIKey of 1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine?
The InChIKey is QLVRJIJATYOOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-7-10-17(21-2)16(11-12)20-18-14-6-4-3-5-13(14)8-9-15(18)19/h3-11,20H,19H2,1-2H3.
What are the key properties of 1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine?
1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine is sourced from PubChem (CID 57231048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).