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

C17H27NO — CID 81027950

IUPACN-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
SMILESCNCC1CCCCC1c1ccccc1OC(C)C
InChIInChI=1S/C17H27NO/c1-13(2)19-17-11-7-6-10-16(17)15-9-5-4-8-14(15)12-18-3/h6-7,10-11,13-15,18H,4-5,8-9,12H2,1-3H3
InChIKeyLRMDVNFGWFQRDQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds5

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

N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine (PubChem CID 81027950) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
PubChem CID81027950
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
SMILESCNCC1CCCCC1c1ccccc1OC(C)C
InChIInChI=1S/C17H27NO/c1-13(2)19-17-11-7-6-10-16(17)15-9-5-4-8-14(15)12-18-3/h6-7,10-11,13-15,18H,4-5,8-9,12H2,1-3H3
InChIKeyLRMDVNFGWFQRDQ-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017765
1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81027217
1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 82811219
1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
CID 81033471
[(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol
CID 10632110
1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492
2-methyl-N-[[2-(2-propoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 104663485
N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine
CID 81028814
N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine
CID 82791684
1-[2-(2,4-difluorophenyl)cycloheptyl]-N-methylmethanamine
CID 81025058
[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81009765

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine (CID 81027950) is N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine is CNCC1CCCCC1c1ccccc1OC(C)C.
What is the InChIKey of N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine?
The InChIKey is LRMDVNFGWFQRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)19-17-11-7-6-10-16(17)15-9-5-4-8-14(15)12-18-3/h6-7,10-11,13-15,18H,4-5,8-9,12H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine?
N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81027950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).