1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine

C17H26FNO — CID 116766499

IUPAC1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)C1(OC)CCC(C)CC1
InChIInChI=1S/C17H26FNO/c1-12-7-9-17(20-4,10-8-12)16(19-3)14-5-6-15(18)13(2)11-14/h5-6,11-12,16,19H,7-10H2,1-4H3
InChIKeyHSDXOBBWNSWKCF-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.99
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine

1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine (PubChem CID 116766499) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
PubChem CID116766499
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)C1(OC)CCC(C)CC1
InChIInChI=1S/C17H26FNO/c1-12-7-9-17(20-4,10-8-12)16(19-3)14-5-6-15(18)13(2)11-14/h5-6,11-12,16,19H,7-10H2,1-4H3
InChIKeyHSDXOBBWNSWKCF-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611026
1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766426
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
1-(5-chloro-2-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766450
1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061537
1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116767179
1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116958754
(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754388
[(3,4-difluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277308
(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine (CID 116766499) is 1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine is CNC(c1ccc(F)c(C)c1)C1(OC)CCC(C)CC1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is HSDXOBBWNSWKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12-7-9-17(20-4,10-8-12)16(19-3)14-5-6-15(18)13(2)11-14/h5-6,11-12,16,19H,7-10H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116766499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).