[4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine

C15H22FNO — CID 18071251

IUPAC[4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESCC1CCCCC1OCc1cc(CN)ccc1F
InChIInChI=1S/C15H22FNO/c1-11-4-2-3-5-15(11)18-10-13-8-12(9-17)6-7-14(13)16/h6-8,11,15H,2-5,9-10,17H2,1H3
InChIKeyCNOAGZJJZRRLRJ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.38
Rot. Bonds4

About [4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine

[4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine (PubChem CID 18071251) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is [4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine
PubChem CID18071251
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name[4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESCC1CCCCC1OCc1cc(CN)ccc1F
InChIInChI=1S/C15H22FNO/c1-11-4-2-3-5-15(11)18-10-13-8-12(9-17)6-7-14(13)16/h6-8,11,15H,2-5,9-10,17H2,1H3
InChIKeyCNOAGZJJZRRLRJ-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine (CID 18071251) is [4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine is CC1CCCCC1OCc1cc(CN)ccc1F.
What is the InChIKey of [4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine?
The InChIKey is CNOAGZJJZRRLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-4-2-3-5-15(11)18-10-13-8-12(9-17)6-7-14(13)16/h6-8,11,15H,2-5,9-10,17H2,1H3.
What are the key properties of [4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine?
[4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(2-methylcyclohexyl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 18071251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).