[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine

C16H25NO — CID 65052350

IUPAC[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine
SMILESCc1cccc(COC2(CN)CCCC(C)C2)c1
InChIInChI=1S/C16H25NO/c1-13-5-3-7-15(9-13)11-18-16(12-17)8-4-6-14(2)10-16/h3,5,7,9,14H,4,6,8,10-12,17H2,1-2H3
InChIKeyJDDYYJZZQRNCEB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.42
Rot. Bonds4

About [3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine

[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine (PubChem CID 65052350) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine
PubChem CID65052350
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine
SMILESCc1cccc(COC2(CN)CCCC(C)C2)c1
InChIInChI=1S/C16H25NO/c1-13-5-3-7-15(9-13)11-18-16(12-17)8-4-6-14(2)10-16/h3,5,7,9,14H,4,6,8,10-12,17H2,1-2H3
InChIKeyJDDYYJZZQRNCEB-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine?
The IUPAC name of [3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine (CID 65052350) is [3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine?
The canonical SMILES for [3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine is Cc1cccc(COC2(CN)CCCC(C)C2)c1.
What is the InChIKey of [3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine?
The InChIKey is JDDYYJZZQRNCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-5-3-7-15(9-13)11-18-16(12-17)8-4-6-14(2)10-16/h3,5,7,9,14H,4,6,8,10-12,17H2,1-2H3.
What are the key properties of [3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine?
[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 65052350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).