N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline

C16H25NO — CID 64739736

IUPACN-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline
SMILESCC1CCC(OCCNc2ccccc2)CC1C
InChIInChI=1S/C16H25NO/c1-13-8-9-16(12-14(13)2)18-11-10-17-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyNTRGSCXVCPOHGV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.94
Rot. Bonds5

About N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline

N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline (PubChem CID 64739736) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline.

Molecular Properties

Compound NameN-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline
PubChem CID64739736
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline
SMILESCC1CCC(OCCNc2ccccc2)CC1C
InChIInChI=1S/C16H25NO/c1-13-8-9-16(12-14(13)2)18-11-10-17-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyNTRGSCXVCPOHGV-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline
CID 64738333
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]aniline
CID 114342570
4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline
CID 62566177
N-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
CID 61216518
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine
CID 64739740
N-(12-ethoxydodecyl)aniline
CID 54545171
[1-bromo-2-(3,4-dimethylcyclohexyl)oxypropan-2-yl]benzene
CID 114774396
2-bromo-N-[2-(4-methylcyclohexyl)oxyethyl]aniline
CID 63506341
2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine
CID 79259878
2-[2-(3,4-dimethylcyclohexyl)oxyethoxy]benzonitrile
CID 64744968
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807323

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline?
The IUPAC name of N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline (CID 64739736) is N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline.
What is the SMILES notation for N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline?
The canonical SMILES for N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline is CC1CCC(OCCNc2ccccc2)CC1C.
What is the InChIKey of N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline?
The InChIKey is NTRGSCXVCPOHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-9-16(12-14(13)2)18-11-10-17-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3.
What are the key properties of N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline?
N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline has a molecular weight of 247.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline is sourced from PubChem (CID 64739736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).