[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine

C16H25NO — CID 114479387

IUPAC[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COCC1CCCCC1
InChIInChI=1S/C16H25NO/c1-13-9-15(10-17)7-8-16(13)12-18-11-14-5-3-2-4-6-14/h7-9,14H,2-6,10-12,17H2,1H3
InChIKeyJUJBEFNFNVWSNM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds5

About [4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine

[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine (PubChem CID 114479387) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
PubChem CID114479387
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COCC1CCCCC1
InChIInChI=1S/C16H25NO/c1-13-9-15(10-17)7-8-16(13)12-18-11-14-5-3-2-4-6-14/h7-9,14H,2-6,10-12,17H2,1H3
InChIKeyJUJBEFNFNVWSNM-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 102663600
[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine
CID 106200256
4-(cyclohexylmethoxymethyl)-3-methylbenzenecarbothioamide
CID 114482260
[3-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 66324298
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
1,4-bis(cyclohexylmethyl)-2-methylbenzene
CID 154475769
[4-(cyclohexylmethoxymethyl)-2-pyridinyl]methanamine
CID 63882665
N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine
CID 102773481
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107457623

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine?
The IUPAC name of [4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine (CID 114479387) is [4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine is Cc1cc(CN)ccc1COCC1CCCCC1.
What is the InChIKey of [4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine?
The InChIKey is JUJBEFNFNVWSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-9-15(10-17)7-8-16(13)12-18-11-14-5-3-2-4-6-14/h7-9,14H,2-6,10-12,17H2,1H3.
What are the key properties of [4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine?
[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine is sourced from PubChem (CID 114479387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).