1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine

C17H26FNO — CID 107177273

IUPAC1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1OC)C1CCCCC1(C)C
InChIInChI=1S/C17H26FNO/c1-17(2)10-6-5-7-14(17)16(19-3)13-11-12(18)8-9-15(13)20-4/h8-9,11,14,16,19H,5-7,10H2,1-4H3
InChIKeyJCTRDSCDIXFTFW-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.31
Rot. Bonds4

About 1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine

1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 107177273) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
PubChem CID107177273
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1OC)C1CCCCC1(C)C
InChIInChI=1S/C17H26FNO/c1-17(2)10-6-5-7-14(17)16(19-3)13-11-12(18)8-9-15(13)20-4/h8-9,11,14,16,19H,5-7,10H2,1-4H3
InChIKeyJCTRDSCDIXFTFW-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2,2-dimethylcyclopentyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 107194613
[(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107193744
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
[(2-chloro-5-fluorophenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107194986
4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957071
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012561
[(2,2-dimethylcyclopentyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 107193846
1-(3,4-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177248
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 82769632
(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
CID 107191971
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine (CID 107177273) is 1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(F)ccc1OC)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is JCTRDSCDIXFTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-17(2)10-6-5-7-14(17)16(19-3)13-11-12(18)8-9-15(13)20-4/h8-9,11,14,16,19H,5-7,10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107177273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).