2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol

C14H20FNO — CID 107685782

IUPAC2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
SMILESCC1(CNCc2ccc(O)c(F)c2)CCCC1
InChIInChI=1S/C14H20FNO/c1-14(6-2-3-7-14)10-16-9-11-4-5-13(17)12(15)8-11/h4-5,8,16-17H,2-3,6-7,9-10H2,1H3
InChIKeyZNJPGGQUZAQJOU-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.20
Rot. Bonds4

About 2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol

2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol (PubChem CID 107685782) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
PubChem CID107685782
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
SMILESCC1(CNCc2ccc(O)c(F)c2)CCCC1
InChIInChI=1S/C14H20FNO/c1-14(6-2-3-7-14)10-16-9-11-4-5-13(17)12(15)8-11/h4-5,8,16-17H,2-3,6-7,9-10H2,1H3
InChIKeyZNJPGGQUZAQJOU-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol
CID 107685861
2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103753065
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804
2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 63822199
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724392
1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111439162
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
1-(4-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984608
3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724255
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol (CID 107685782) is 2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol is CC1(CNCc2ccc(O)c(F)c2)CCCC1.
What is the InChIKey of 2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol?
The InChIKey is ZNJPGGQUZAQJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(6-2-3-7-14)10-16-9-11-4-5-13(17)12(15)8-11/h4-5,8,16-17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol?
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol has a molecular weight of 237.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 107685782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).