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

C17H28N2O — CID 61444128

IUPAC4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
SMILESCN(CCCOc1ccc(N)cc1)CC1CCCCC1
InChIInChI=1S/C17H28N2O/c1-19(14-15-6-3-2-4-7-15)12-5-13-20-17-10-8-16(18)9-11-17/h8-11,15H,2-7,12-14,18H2,1H3
InChIKeyJNKOMCICHWLLKX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.55
Rot. Bonds7

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

4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline (PubChem CID 61444128) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline.

Molecular Properties

Compound Name4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
PubChem CID61444128
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
SMILESCN(CCCOc1ccc(N)cc1)CC1CCCCC1
InChIInChI=1S/C17H28N2O/c1-19(14-15-6-3-2-4-7-15)12-5-13-20-17-10-8-16(18)9-11-17/h8-11,15H,2-7,12-14,18H2,1H3
InChIKeyJNKOMCICHWLLKX-UHFFFAOYSA-N
XLogP3.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
CID 63726412
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
CID 62860390
4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
CID 61431012
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
CID 63630897
4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline
CID 61439026
6-[2-[cyclohexylmethyl(methyl)amino]ethyl]pyridin-3-amine
CID 107340126
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001232
2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574807

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline?
The IUPAC name of 4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline (CID 61444128) is 4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline.
What is the SMILES notation for 4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline?
The canonical SMILES for 4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline is CN(CCCOc1ccc(N)cc1)CC1CCCCC1.
What is the InChIKey of 4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline?
The InChIKey is JNKOMCICHWLLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(14-15-6-3-2-4-7-15)12-5-13-20-17-10-8-16(18)9-11-17/h8-11,15H,2-7,12-14,18H2,1H3.
What are the key properties of 4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline?
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline has a molecular weight of 276.42 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline is sourced from PubChem (CID 61444128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).