1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine

C18H32N2O — CID 58596128

IUPAC1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine
SMILESCCCCC(CC)COCCCNc1ccc(N)cc1C
InChIInChI=1S/C18H32N2O/c1-4-6-8-16(5-2)14-21-12-7-11-20-18-10-9-17(19)13-15(18)3/h9-10,13,16,20H,4-8,11-12,14,19H2,1-3H3
InChIKeyDLVJWNWRCJEJJF-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.61
Rot. Bonds11

About 1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine

1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine (PubChem CID 58596128) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine
PubChem CID58596128
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine
SMILESCCCCC(CC)COCCCNc1ccc(N)cc1C
InChIInChI=1S/C18H32N2O/c1-4-6-8-16(5-2)14-21-12-7-11-20-18-10-9-17(19)13-15(18)3/h9-10,13,16,20H,4-8,11-12,14,19H2,1-3H3
InChIKeyDLVJWNWRCJEJJF-UHFFFAOYSA-N
XLogP4.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.61
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

1-(4-chloro-2-methylphenyl)-3-[3-(2-ethylhexoxy)propyl]thiourea
CID 3724637
4-[2-(2-ethylhexoxy)ethoxy]aniline
CID 43366167
1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine
CID 58596116
3-bromo-4-(2-ethylhexoxymethyl)aniline
CID 54918608
ethyl 4-(4-amino-2-methylanilino)butanoate
CID 58596159
N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide
CID 43127152
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
bis[3-(4-amino-2-methylanilino)propyl]-ethyl-methylazanium
CID 89397376
2-ethylhexyl 3-(2-methylanilino)propanoate
CID 15918765
2,4-dichloro-N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide
CID 3812613
N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride
CID 120568529
5-amino-2-(2-ethylhexylamino)benzenesulfonamide
CID 107819806

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine (CID 58596128) is 1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine is CCCCC(CC)COCCCNc1ccc(N)cc1C.
What is the InChIKey of 1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine?
The InChIKey is DLVJWNWRCJEJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-6-8-16(5-2)14-21-12-7-11-20-18-10-9-17(19)13-15(18)3/h9-10,13,16,20H,4-8,11-12,14,19H2,1-3H3.
What are the key properties of 1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine?
1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 58596128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).