3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine

C17H27NO — CID 43432544

IUPAC3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccccc2OC(C)C)C1
InChIInChI=1S/C17H27NO/c1-13(2)19-17-10-5-4-8-15(17)12-18-16-9-6-7-14(3)11-16/h4-5,8,10,13-14,16,18H,6-7,9,11-12H2,1-3H3
InChIKeySHVOPISTZSTYBC-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds5

About 3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine

3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 43432544) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
PubChem CID43432544
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccccc2OC(C)C)C1
InChIInChI=1S/C17H27NO/c1-13(2)19-17-10-5-4-8-15(17)12-18-16-9-6-7-14(3)11-16/h4-5,8,10,13-14,16,18H,6-7,9,11-12H2,1-3H3
InChIKeySHVOPISTZSTYBC-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43216462
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 54848643
N-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728521
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol
CID 103700313
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43433759
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 129366909
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560901

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine (CID 43432544) is 3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine is CC1CCCC(NCc2ccccc2OC(C)C)C1.
What is the InChIKey of 3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is SHVOPISTZSTYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)19-17-10-5-4-8-15(17)12-18-16-9-6-7-14(3)11-16/h4-5,8,10,13-14,16,18H,6-7,9,11-12H2,1-3H3.
What are the key properties of 3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43432544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).