1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine

C14H24N2O2 — CID 114041355

IUPAC1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
SMILESCOCCOCCCCNc1cccc(C)c1N
InChIInChI=1S/C14H24N2O2/c1-12-6-5-7-13(14(12)15)16-8-3-4-9-18-11-10-17-2/h5-7,16H,3-4,8-11,15H2,1-2H3
InChIKeyURLQEVJMTTXLDV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.43
Rot. Bonds9

About 1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine

1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine (PubChem CID 114041355) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
PubChem CID114041355
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
SMILESCOCCOCCCCNc1cccc(C)c1N
InChIInChI=1S/C14H24N2O2/c1-12-6-5-7-13(14(12)15)16-8-3-4-9-18-11-10-17-2/h5-7,16H,3-4,8-11,15H2,1-2H3
InChIKeyURLQEVJMTTXLDV-UHFFFAOYSA-N
XLogP2.43
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041350
N-(6-methoxyhexyl)-2-methylaniline
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CID 115897809
N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline
CID 103178461
2-[2-(2-amino-3-methylanilino)ethoxy]acetamide
CID 106234418
1-N-(4-decoxybutyl)-3-fluorobenzene-1,2-diamine
CID 150244953
2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652
1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine
CID 58596116
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfanylaniline
CID 107644761
2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile
CID 114003061
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
CID 103409295
3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255756

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine (CID 114041355) is 1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine is COCCOCCCCNc1cccc(C)c1N.
What is the InChIKey of 1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine?
The InChIKey is URLQEVJMTTXLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12-6-5-7-13(14(12)15)16-8-3-4-9-18-11-10-17-2/h5-7,16H,3-4,8-11,15H2,1-2H3.
What are the key properties of 1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine?
1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 114041355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).