4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine

C15H26N2O — CID 114174133

IUPAC4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NC(C)(CC)CC)ccc1N
InChIInChI=1S/C15H26N2O/c1-5-10-18-14-11-12(8-9-13(14)16)17-15(4,6-2)7-3/h8-9,11,17H,5-7,10,16H2,1-4H3
InChIKeyWCXGKRMOADGXTD-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.05
Rot. Bonds7

About 4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine

4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine (PubChem CID 114174133) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
PubChem CID114174133
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NC(C)(CC)CC)ccc1N
InChIInChI=1S/C15H26N2O/c1-5-10-18-14-11-12(8-9-13(14)16)17-15(4,6-2)7-3/h8-9,11,17H,5-7,10,16H2,1-4H3
InChIKeyWCXGKRMOADGXTD-UHFFFAOYSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.05
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

3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63676721
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
methyl 2-(4-amino-3-propoxyanilino)acetate
CID 63671618
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
4-N-[(4-chlorophenyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63671606
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
4-methyl-2-propoxyaniline
CID 24698653
4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
CID 63671834
1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
CID 107151168

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine (CID 114174133) is 4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine is CCCOc1cc(NC(C)(CC)CC)ccc1N.
What is the InChIKey of 4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine?
The InChIKey is WCXGKRMOADGXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-10-18-14-11-12(8-9-13(14)16)17-15(4,6-2)7-3/h8-9,11,17H,5-7,10,16H2,1-4H3.
What are the key properties of 4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine?
4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 114174133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).