3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine

C18H19N3O — CID 70480176

IUPAC3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine
SMILESCOc1ccc(C)c(Nc2cc(N)c3ccc(N)cc3c2)c1
InChIInChI=1S/C18H19N3O/c1-11-3-5-15(22-2)10-18(11)21-14-8-12-7-13(19)4-6-16(12)17(20)9-14/h3-10,21H,19-20H2,1-2H3
InChIKeyUIYXXCLMQXKHFE-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.06
Rot. Bonds3

About 3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine

3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine (PubChem CID 70480176) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine.

Molecular Properties

Compound Name3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine
PubChem CID70480176
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine
SMILESCOc1ccc(C)c(Nc2cc(N)c3ccc(N)cc3c2)c1
InChIInChI=1S/C18H19N3O/c1-11-3-5-15(22-2)10-18(11)21-14-8-12-7-13(19)4-6-16(12)17(20)9-14/h3-10,21H,19-20H2,1-2H3
InChIKeyUIYXXCLMQXKHFE-UHFFFAOYSA-N
XLogP4.06
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine
CID 114252576
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80722407
3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
CID 55091364
2-N-(3-iodo-4-methylphenyl)-4-methoxybenzene-1,2-diamine
CID 114257091
3-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 66195446
3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine
CID 62589407
5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 80738994
4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 86045530
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine?
The IUPAC name of 3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine (CID 70480176) is 3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine.
What is the SMILES notation for 3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine?
The canonical SMILES for 3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine is COc1ccc(C)c(Nc2cc(N)c3ccc(N)cc3c2)c1.
What is the InChIKey of 3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine?
The InChIKey is UIYXXCLMQXKHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-11-3-5-15(22-2)10-18(11)21-14-8-12-7-13(19)4-6-16(12)17(20)9-14/h3-10,21H,19-20H2,1-2H3.
What are the key properties of 3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine?
3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine has a molecular weight of 293.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine is sourced from PubChem (CID 70480176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).