1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine

C14H24N2O — CID 58596116

IUPAC1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine
SMILESCOCCCCCCNc1ccc(N)cc1C
InChIInChI=1S/C14H24N2O/c1-12-11-13(15)7-8-14(12)16-9-5-3-4-6-10-17-2/h7-8,11,16H,3-6,9-10,15H2,1-2H3
InChIKeySMVLJHUJYJLSIF-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.20
Rot. Bonds8

About 1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine

1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine (PubChem CID 58596116) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine
PubChem CID58596116
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine
SMILESCOCCCCCCNc1ccc(N)cc1C
InChIInChI=1S/C14H24N2O/c1-12-11-13(15)7-8-14(12)16-9-5-3-4-6-10-17-2/h7-8,11,16H,3-6,9-10,15H2,1-2H3
InChIKeySMVLJHUJYJLSIF-UHFFFAOYSA-N
XLogP3.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.20
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'}

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Related Compounds

N-(6-methoxyhexyl)-2-methylaniline
CID 59493757
ethyl 4-(4-amino-2-methylanilino)butanoate
CID 58596159
4-(3-methoxypropylamino)-3-methylbenzenecarbothioamide
CID 60929588
2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
bis[3-(4-amino-2-methylanilino)propyl]-ethyl-methylazanium
CID 89397376
1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
CID 114112814
1-N-(3-methoxypropyl)-2-nitrobenzene-1,4-diamine
CID 95446704
1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 43343022
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713
1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine
CID 58596128
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547
4-bromo-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 65342774

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine (CID 58596116) is 1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine is COCCCCCCNc1ccc(N)cc1C.
What is the InChIKey of 1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine?
The InChIKey is SMVLJHUJYJLSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-11-13(15)7-8-14(12)16-9-5-3-4-6-10-17-2/h7-8,11,16H,3-6,9-10,15H2,1-2H3.
What are the key properties of 1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine?
1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 58596116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).