3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine

C14H16FNO — CID 54969816

IUPAC3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cc(COCC2CC2)ccc1F
InChIInChI=1S/C14H16FNO/c15-14-6-5-12(8-13(14)2-1-7-16)10-17-9-11-3-4-11/h5-6,8,11H,3-4,7,9-10,16H2
InChIKeyUGNLGKUHIPPKKW-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.06
Rot. Bonds4

About 3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine

3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine (PubChem CID 54969816) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine
PubChem CID54969816
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cc(COCC2CC2)ccc1F
InChIInChI=1S/C14H16FNO/c15-14-6-5-12(8-13(14)2-1-7-16)10-17-9-11-3-4-11/h5-6,8,11H,3-4,7,9-10,16H2
InChIKeyUGNLGKUHIPPKKW-UHFFFAOYSA-N
XLogP2.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine (CID 54969816) is 3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine is NCC#Cc1cc(COCC2CC2)ccc1F.
What is the InChIKey of 3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine?
The InChIKey is UGNLGKUHIPPKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-14-6-5-12(8-13(14)2-1-7-16)10-17-9-11-3-4-11/h5-6,8,11H,3-4,7,9-10,16H2.
What are the key properties of 3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine?
3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine has a molecular weight of 233.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-amine is sourced from PubChem (CID 54969816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).