4-[(3-methylcyclohexyl)methoxymethyl]aniline

C15H23NO — CID 114197020

IUPAC4-[(3-methylcyclohexyl)methoxymethyl]aniline
SMILESCC1CCCC(COCc2ccc(N)cc2)C1
InChIInChI=1S/C15H23NO/c1-12-3-2-4-14(9-12)11-17-10-13-5-7-15(16)8-6-13/h5-8,12,14H,2-4,9-11,16H2,1H3
InChIKeyRELVUNZGZRZIDI-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.61
Rot. Bonds4

About 4-[(3-methylcyclohexyl)methoxymethyl]aniline

4-[(3-methylcyclohexyl)methoxymethyl]aniline (PubChem CID 114197020) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[(3-methylcyclohexyl)methoxymethyl]aniline.

Molecular Properties

Compound Name4-[(3-methylcyclohexyl)methoxymethyl]aniline
PubChem CID114197020
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-[(3-methylcyclohexyl)methoxymethyl]aniline
SMILESCC1CCCC(COCc2ccc(N)cc2)C1
InChIInChI=1S/C15H23NO/c1-12-3-2-4-14(9-12)11-17-10-13-5-7-15(16)8-6-13/h5-8,12,14H,2-4,9-11,16H2,1H3
InChIKeyRELVUNZGZRZIDI-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]aniline
CID 79604451
1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene
CID 140907989
5-[(3-methylcyclohexyl)methoxymethyl]thiophene-2-carboxylic acid
CID 114196960
4-(cyclopentylmethoxymethyl)benzonitrile
CID 66323484
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
3-(phenylmethoxymethyl)cyclohexane-1-carbothioamide
CID 166694250
benzyl 2-[(1S,3R)-3-methylcyclohexyl]acetate
CID 135265580
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
[3-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 66324298
2-chloro-5-(cyclopropylmethoxymethyl)aniline
CID 43349982
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclohexyl)methoxymethyl]aniline?
The IUPAC name of 4-[(3-methylcyclohexyl)methoxymethyl]aniline (CID 114197020) is 4-[(3-methylcyclohexyl)methoxymethyl]aniline.
What is the SMILES notation for 4-[(3-methylcyclohexyl)methoxymethyl]aniline?
The canonical SMILES for 4-[(3-methylcyclohexyl)methoxymethyl]aniline is CC1CCCC(COCc2ccc(N)cc2)C1.
What is the InChIKey of 4-[(3-methylcyclohexyl)methoxymethyl]aniline?
The InChIKey is RELVUNZGZRZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-3-2-4-14(9-12)11-17-10-13-5-7-15(16)8-6-13/h5-8,12,14H,2-4,9-11,16H2,1H3.
What are the key properties of 4-[(3-methylcyclohexyl)methoxymethyl]aniline?
4-[(3-methylcyclohexyl)methoxymethyl]aniline has a molecular weight of 233.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclohexyl)methoxymethyl]aniline is sourced from PubChem (CID 114197020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).