N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine

C16H27FN2O — CID 107687173

IUPACN-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCN(CC)CC)c(F)c1
InChIInChI=1S/C16H27FN2O/c1-4-9-18-13-14-7-8-16(15(17)12-14)20-11-10-19(5-2)6-3/h7-8,12,18H,4-6,9-11,13H2,1-3H3
InChIKeyFCMFUEYWXZKJOL-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.05
Rot. Bonds10

About N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine

N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine (PubChem CID 107687173) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine
PubChem CID107687173
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCN(CC)CC)c(F)c1
InChIInChI=1S/C16H27FN2O/c1-4-9-18-13-14-7-8-16(15(17)12-14)20-11-10-19(5-2)6-3/h7-8,12,18H,4-6,9-11,13H2,1-3H3
InChIKeyFCMFUEYWXZKJOL-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43235528
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 43278002
N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 107687146
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63323050
N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62296826
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107687215
2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine
CID 58603321
1,1,1-trifluoro-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propan-2-ol
CID 107687401
N-[(3-bromo-4-propoxyphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 29241414
N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide
CID 107687315
N',N'-diethyl-N-[(4-hexoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54849213

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine (CID 107687173) is N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine is CCCNCc1ccc(OCCN(CC)CC)c(F)c1.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine?
The InChIKey is FCMFUEYWXZKJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-9-18-13-14-7-8-16(15(17)12-14)20-11-10-19(5-2)6-3/h7-8,12,18H,4-6,9-11,13H2,1-3H3.
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine?
N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine has a molecular weight of 282.40 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 107687173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).