N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine

C17H29FN2 — CID 107454799

IUPACN-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
SMILESCCCNCc1ccc(F)c(CN(C)CC(C)(C)C)c1
InChIInChI=1S/C17H29FN2/c1-6-9-19-11-14-7-8-16(18)15(10-14)12-20(5)13-17(2,3)4/h7-8,10,19H,6,9,11-13H2,1-5H3
InChIKeyUFCXRIOKZMHOOQ-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.80
Rot. Bonds7

About N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine

N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine (PubChem CID 107454799) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
PubChem CID107454799
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
SMILESCCCNCc1ccc(F)c(CN(C)CC(C)(C)C)c1
InChIInChI=1S/C17H29FN2/c1-6-9-19-11-14-7-8-16(18)15(10-14)12-20(5)13-17(2,3)4/h7-8,10,19H,6,9,11-13H2,1-5H3
InChIKeyUFCXRIOKZMHOOQ-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454794
N-[[3-bromo-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 102769916
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454402
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107454847
N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62462443
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63887724
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107454440
N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 107457179
1-[[5-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79382406
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpentan-1-amine
CID 107454220

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine?
The IUPAC name of N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine (CID 107454799) is N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine is CCCNCc1ccc(F)c(CN(C)CC(C)(C)C)c1.
What is the InChIKey of N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine?
The InChIKey is UFCXRIOKZMHOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-6-9-19-11-14-7-8-16(18)15(10-14)12-20(5)13-17(2,3)4/h7-8,10,19H,6,9,11-13H2,1-5H3.
What are the key properties of N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine?
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine has a molecular weight of 280.43 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 107454799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).