3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine

C16H20FNO — CID 66323089

IUPAC3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(COCC2CCCC2)c(F)c1
InChIInChI=1S/C16H20FNO/c17-16-10-13(6-3-9-18)7-8-15(16)12-19-11-14-4-1-2-5-14/h7-8,10,14H,1-2,4-5,9,11-12,18H2
InChIKeyFIENNBIBPAVETM-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.84
Rot. Bonds4

About 3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine

3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine (PubChem CID 66323089) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
PubChem CID66323089
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(COCC2CCCC2)c(F)c1
InChIInChI=1S/C16H20FNO/c17-16-10-13(6-3-9-18)7-8-15(16)12-19-11-14-4-1-2-5-14/h7-8,10,14H,1-2,4-5,9,11-12,18H2
InChIKeyFIENNBIBPAVETM-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol
CID 62383213
3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine
CID 66323088
3-[4-(butoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 54970210
3-[3-(cyclohexylmethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675760
3-[3-fluoro-4-(3,3,3-trifluoropropoxymethyl)phenyl]prop-2-yn-1-amine
CID 82954541
3-[3-fluoro-4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]prop-2-yn-1-amine
CID 103404213
3-[3-fluoro-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
CID 106588437
3-[3-fluoro-4-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-amine
CID 106448594
3-[3-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]prop-2-yn-1-amine
CID 54969911
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarbothioamide
CID 66321774
N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine
CID 64522605
3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 66322876

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine (CID 66323089) is 3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine is NCC#Cc1ccc(COCC2CCCC2)c(F)c1.
What is the InChIKey of 3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine?
The InChIKey is FIENNBIBPAVETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-16-10-13(6-3-9-18)7-8-15(16)12-19-11-14-4-1-2-5-14/h7-8,10,14H,1-2,4-5,9,11-12,18H2.
What are the key properties of 3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine?
3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine has a molecular weight of 261.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine is sourced from PubChem (CID 66323089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).