N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine

C16H26FNO — CID 107687215

IUPACN-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC(C)CCC)c(F)c1
InChIInChI=1S/C16H26FNO/c1-4-6-13(3)12-19-16-8-7-14(10-15(16)17)11-18-9-5-2/h7-8,10,13,18H,4-6,9,11-12H2,1-3H3
InChIKeyLEOATHJZNVJFML-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.14
Rot. Bonds9

About N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine

N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine (PubChem CID 107687215) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
PubChem CID107687215
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC(C)CCC)c(F)c1
InChIInChI=1S/C16H26FNO/c1-4-6-13(3)12-19-16-8-7-14(10-15(16)17)11-18-9-5-2/h7-8,10,13,18H,4-6,9,11-12H2,1-3H3
InChIKeyLEOATHJZNVJFML-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[3-fluoro-4-(2-methylpentoxy)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-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688798
N-[[3-chloro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 55193837
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013330
4-(chloromethyl)-2-fluoro-1-(2-methylpentoxy)benzene
CID 107691330
1,1,1-trifluoro-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propan-2-ol
CID 107687401
N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107695953
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687173
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107687402
N-[[4-(3,5-dimethylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43283078

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine (CID 107687215) is N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCC(C)CCC)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine?
The InChIKey is LEOATHJZNVJFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-6-13(3)12-19-16-8-7-14(10-15(16)17)11-18-9-5-2/h7-8,10,13,18H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine?
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107687215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).