N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine

C16H26FNO — CID 107457179

IUPACN-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCCCOCc1cc(CNCCC)ccc1F
InChIInChI=1S/C16H26FNO/c1-3-5-6-10-19-13-15-11-14(7-8-16(15)17)12-18-9-4-2/h7-8,11,18H,3-6,9-10,12-13H2,1-2H3
InChIKeyCBJBGFAFPXOACN-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.03
Rot. Bonds10

About N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine

N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine (PubChem CID 107457179) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine
PubChem CID107457179
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCCCOCc1cc(CNCCC)ccc1F
InChIInChI=1S/C16H26FNO/c1-3-5-6-10-19-13-15-11-14(7-8-16(15)17)12-18-9-4-2/h7-8,11,18H,3-6,9-10,12-13H2,1-2H3
InChIKeyCBJBGFAFPXOACN-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457094
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933
N-[[3-bromo-4-(hexoxymethyl)phenyl]methyl]propan-1-amine
CID 102772531
N-[[3-(butoxymethyl)-4-methoxyphenyl]methyl]propan-1-amine
CID 62017264
N-[[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 107457069
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
[2-fluoro-5-(heptoxymethyl)phenyl]methanamine
CID 107878945
N-[[4-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]phenyl]methyl]ethanamine
CID 107458028
N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63887724
5-[(2-fluorophenyl)methoxy]-N-propylpentan-1-amine
CID 63937972
4-fluoro-3-(octoxymethyl)benzonitrile
CID 43128149

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine (CID 107457179) is N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine is CCCCCOCc1cc(CNCCC)ccc1F.
What is the InChIKey of N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine?
The InChIKey is CBJBGFAFPXOACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-3-5-6-10-19-13-15-11-14(7-8-16(15)17)12-18-9-4-2/h7-8,11,18H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine?
N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107457179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).