3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine

C10H10FNO — CID 60799775

IUPAC3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)cc1F
InChIInChI=1S/C10H10FNO/c1-13-10-5-4-8(3-2-6-12)7-9(10)11/h4-5,7H,6,12H2,1H3
InChIKeyKLRXEYDKLWWGBS-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.14
Rot. Bonds1

About 3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine

3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine (PubChem CID 60799775) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
PubChem CID60799775
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)cc1F
InChIInChI=1S/C10H10FNO/c1-13-10-5-4-8(3-2-6-12)7-9(10)11/h4-5,7H,6,12H2,1H3
InChIKeyKLRXEYDKLWWGBS-UHFFFAOYSA-N
XLogP1.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.14
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

2-amino-N-[3-(3-fluoro-4-methoxyphenyl)prop-2-ynyl]acetamide
CID 114777679
3-(3-chloro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60802193
5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol
CID 146003400
2-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methylsulfanyl]ethanol
CID 54969627
3-[4-methoxy-3-(2-methoxyethylsulfanylmethyl)phenyl]prop-2-yn-1-amine
CID 54970018
3-[3-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]prop-2-yn-1-amine
CID 54969911
5-(3-aminoprop-1-ynyl)-2-methoxy-N-methylbenzenesulfonamide
CID 54926911
3-[3-fluoro-4-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-amine
CID 106448594
N-[3-(3-fluoro-4-methoxyphenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
CID 166626108
3-[3-fluoro-4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]prop-2-yn-1-amine
CID 103404213
3-[4-(butoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 54970210
3-[4-(tert-butylsulfanylmethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 54970014

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine (CID 60799775) is 3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine is COc1ccc(C#CCN)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
The InChIKey is KLRXEYDKLWWGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-13-10-5-4-8(3-2-6-12)7-9(10)11/h4-5,7H,6,12H2,1H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine has a molecular weight of 179.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 60799775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).