1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C18H29NO — CID 116762847

IUPAC1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)C1(OC)CCCCC1
InChIInChI=1S/C18H29NO/c1-14(2)15-8-10-16(11-9-15)17(19-3)18(20-4)12-6-5-7-13-18/h8-11,14,17,19H,5-7,12-13H2,1-4H3
InChIKeyUVKMXKMCGFDTLA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.42
Rot. Bonds5

About 1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 116762847) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID116762847
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)C1(OC)CCCCC1
InChIInChI=1S/C18H29NO/c1-14(2)15-8-10-16(11-9-15)17(19-3)18(20-4)12-6-5-7-13-18/h8-11,14,17,19H,5-7,12-13H2,1-4H3
InChIKeyUVKMXKMCGFDTLA-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116764616
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116767757
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
1-(1-methoxycyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104611046
1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611026
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116763076
[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]hydrazine
CID 105268611
1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770190
1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762928
1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611051
1-(1-methoxycycloheptyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116770175

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 116762847) is 1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is UVKMXKMCGFDTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)15-8-10-16(11-9-15)17(19-3)18(20-4)12-6-5-7-13-18/h8-11,14,17,19H,5-7,12-13H2,1-4H3.
What are the key properties of 1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 116762847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).