2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol

C14H20FNO2 — CID 103948001

IUPAC2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
SMILESOc1ccc(F)cc1CNCCCOCC1CC1
InChIInChI=1S/C14H20FNO2/c15-13-4-5-14(17)12(8-13)9-16-6-1-7-18-10-11-2-3-11/h4-5,8,11,16-17H,1-3,6-7,9-10H2
InChIKeyYWJPUKWWTGGKQT-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.44
Rot. Bonds8

About 2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol

2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol (PubChem CID 103948001) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
PubChem CID103948001
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
SMILESOc1ccc(F)cc1CNCCCOCC1CC1
InChIInChI=1S/C14H20FNO2/c15-13-4-5-14(17)12(8-13)9-16-6-1-7-18-10-11-2-3-11/h4-5,8,11,16-17H,1-3,6-7,9-10H2
InChIKeyYWJPUKWWTGGKQT-UHFFFAOYSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 113237530
2-[(3-aminopropylamino)methyl]-4-fluorophenol
CID 102672647
4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
CID 103948383
4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol
CID 107694453
3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 29298732
4-fluoro-2-[(4-methylpentylamino)methyl]phenol
CID 103948054
4-fluoro-2-[(3-methylsulfanylpropylamino)methyl]phenol
CID 103948827
3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine
CID 103844888
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
4-fluoro-2-[(4-methylsulfanylbutylamino)methyl]phenol
CID 103948804
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine
CID 111965827

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol?
The IUPAC name of 2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol (CID 103948001) is 2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol is Oc1ccc(F)cc1CNCCCOCC1CC1.
What is the InChIKey of 2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol?
The InChIKey is YWJPUKWWTGGKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c15-13-4-5-14(17)12(8-13)9-16-6-1-7-18-10-11-2-3-11/h4-5,8,11,16-17H,1-3,6-7,9-10H2.
What are the key properties of 2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol?
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol has a molecular weight of 253.32 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol is sourced from PubChem (CID 103948001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).