4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline

C17H28N2O — CID 61439026

IUPAC4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline
SMILESCC1CCC(N(C)CCCOc2ccc(N)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-14-4-8-16(9-5-14)19(2)12-3-13-20-17-10-6-15(18)7-11-17/h6-7,10-11,14,16H,3-5,8-9,12-13,18H2,1-2H3
InChIKeyWCTZTSOSUWBFJS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.55
Rot. Bonds6

About 4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline

4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline (PubChem CID 61439026) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline.

Molecular Properties

Compound Name4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline
PubChem CID61439026
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline
SMILESCC1CCC(N(C)CCCOc2ccc(N)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-14-4-8-16(9-5-14)19(2)12-3-13-20-17-10-6-15(18)7-11-17/h6-7,10-11,14,16H,3-5,8-9,12-13,18H2,1-2H3
InChIKeyWCTZTSOSUWBFJS-UHFFFAOYSA-N
XLogP3.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol
CID 102859994
N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
CID 5262176
(4-methylcyclohexyl) 3-(4-aminophenoxy)propanoate
CID 61310429
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
CID 43270088
3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline
CID 115341883

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline?
The IUPAC name of 4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline (CID 61439026) is 4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline.
What is the SMILES notation for 4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline?
The canonical SMILES for 4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline is CC1CCC(N(C)CCCOc2ccc(N)cc2)CC1.
What is the InChIKey of 4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline?
The InChIKey is WCTZTSOSUWBFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-4-8-16(9-5-14)19(2)12-3-13-20-17-10-6-15(18)7-11-17/h6-7,10-11,14,16H,3-5,8-9,12-13,18H2,1-2H3.
What are the key properties of 4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline?
4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline has a molecular weight of 276.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline is sourced from PubChem (CID 61439026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).