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

C17H28FNO — CID 107688798

IUPACN-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCCC(C)COc1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C17H28FNO/c1-5-6-14(4)12-20-17-8-7-15(9-16(17)18)11-19-10-13(2)3/h7-9,13-14,19H,5-6,10-12H2,1-4H3
InChIKeyQXWUOSDDNMDIAF-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.39
Rot. Bonds9

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

N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107688798) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID107688798
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC NameN-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCCC(C)COc1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C17H28FNO/c1-5-6-14(4)12-20-17-8-7-15(9-16(17)18)11-19-10-13(2)3/h7-9,13-14,19H,5-6,10-12H2,1-4H3
InChIKeyQXWUOSDDNMDIAF-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-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]propan-1-amine
CID 107687215
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
4-(chloromethyl)-2-fluoro-1-(2-methylpentoxy)benzene
CID 107691330
1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 107688740
N-[[3-fluoro-4-(2-fluoroethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107689008
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
N-[[3-fluoro-4-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688715
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N-[[3-chloro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 55193837
3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 107688867
N-[[4-(2,2-difluoroethoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63058247
N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107695953

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 107688798) is N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine is CCCC(C)COc1ccc(CNCC(C)C)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is QXWUOSDDNMDIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-6-14(4)12-20-17-8-7-15(9-16(17)18)11-19-10-13(2)3/h7-9,13-14,19H,5-6,10-12H2,1-4H3.
What are the key properties of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.39, 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]-2-methylpropan-1-amine is sourced from PubChem (CID 107688798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).