4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine

C16H26N2O — CID 55231761

IUPAC4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NC2(C)CCCCC2)ccc1N
InChIInChI=1S/C16H26N2O/c1-3-11-19-15-12-13(7-8-14(15)17)18-16(2)9-5-4-6-10-16/h7-8,12,18H,3-6,9-11,17H2,1-2H3
InChIKeyLBINSHGCLJUJDJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.19
Rot. Bonds5

About 4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine

4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine (PubChem CID 55231761) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine
PubChem CID55231761
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NC2(C)CCCCC2)ccc1N
InChIInChI=1S/C16H26N2O/c1-3-11-19-15-12-13(7-8-14(15)17)18-16(2)9-5-4-6-10-16/h7-8,12,18H,3-6,9-11,17H2,1-2H3
InChIKeyLBINSHGCLJUJDJ-UHFFFAOYSA-N
XLogP4.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.19
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

[4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol
CID 106296921
2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine
CID 63406207
N-(1-methylcyclopropyl)-4-nitro-3-propoxyaniline
CID 113485591
4-N-[2-(azepan-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63669842
4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine
CID 114543414
4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
CID 114174133
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63676721
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
2-propoxy-4-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 63677568
4-methyl-2-propoxyaniline
CID 24698653
4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 106166400

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine (CID 55231761) is 4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine is CCCOc1cc(NC2(C)CCCCC2)ccc1N.
What is the InChIKey of 4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine?
The InChIKey is LBINSHGCLJUJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-11-19-15-12-13(7-8-14(15)17)18-16(2)9-5-4-6-10-16/h7-8,12,18H,3-6,9-11,17H2,1-2H3.
What are the key properties of 4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine?
4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylcyclohexyl)-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 55231761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).