1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine

C18H29NO — CID 63462925

IUPAC1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
SMILESCC1CCC(CNCc2ccccc2OC(C)C)CC1
InChIInChI=1S/C18H29NO/c1-14(2)20-18-7-5-4-6-17(18)13-19-12-16-10-8-15(3)9-11-16/h4-7,14-16,19H,8-13H2,1-3H3
InChIKeyFLAXFGXCIDJNPZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.39
Rot. Bonds6

About 1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine

1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine (PubChem CID 63462925) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
PubChem CID63462925
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
SMILESCC1CCC(CNCc2ccccc2OC(C)C)CC1
InChIInChI=1S/C18H29NO/c1-14(2)20-18-7-5-4-6-17(18)13-19-12-16-10-8-15(3)9-11-16/h4-7,14-16,19H,8-13H2,1-3H3
InChIKeyFLAXFGXCIDJNPZ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699790
[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
CID 62551272
2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
CID 63242767
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile
CID 107411817
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855904

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine (CID 63462925) is 1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine is CC1CCC(CNCc2ccccc2OC(C)C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
The InChIKey is FLAXFGXCIDJNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)20-18-7-5-4-6-17(18)13-19-12-16-10-8-15(3)9-11-16/h4-7,14-16,19H,8-13H2,1-3H3.
What are the key properties of 1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine is sourced from PubChem (CID 63462925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).