[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine

C18H28FNO — CID 43104736

IUPAC[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESCC1CCC(C(C)C)C(OCc2cc(CN)ccc2F)C1
InChIInChI=1S/C18H28FNO/c1-12(2)16-6-4-13(3)8-18(16)21-11-15-9-14(10-20)5-7-17(15)19/h5,7,9,12-13,16,18H,4,6,8,10-11,20H2,1-3H3
InChIKeyUGOOBYSCYXHNEF-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.26
Rot. Bonds5

About [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine

[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine (PubChem CID 43104736) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
PubChem CID43104736
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESCC1CCC(C(C)C)C(OCc2cc(CN)ccc2F)C1
InChIInChI=1S/C18H28FNO/c1-12(2)16-6-4-13(3)8-18(16)21-11-15-9-14(10-20)5-7-17(15)19/h5,7,9,12-13,16,18H,4,6,8,10-11,20H2,1-3H3
InChIKeyUGOOBYSCYXHNEF-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine with MolForge

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Related Compounds

[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 114479302
[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 102663486
2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene
CID 63458044
2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349458
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-yl]methanamine
CID 62445744
[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
CID 63458733
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene
CID 10661260
[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine
CID 28996219
2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
CID 55195389
CID 136740321
CID 136740321
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carbothioamide
CID 62895472

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine (CID 43104736) is [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine is CC1CCC(C(C)C)C(OCc2cc(CN)ccc2F)C1.
What is the InChIKey of [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The InChIKey is UGOOBYSCYXHNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-12(2)16-6-4-13(3)8-18(16)21-11-15-9-14(10-20)5-7-17(15)19/h5,7,9,12-13,16,18H,4,6,8,10-11,20H2,1-3H3.
What are the key properties of [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine has a molecular weight of 293.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 43104736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).