N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine

C11H16FN — CID 61033992

IUPACN-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1F
InChIInChI=1S/C11H16FN/c1-3-6-13-8-10-7-9(2)4-5-11(10)12/h4-5,7,13H,3,6,8H2,1-2H3
InChIKeyTWWGLZGQCXNEHS-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.63
Rot. Bonds4

About N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine

N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine (PubChem CID 61033992) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
PubChem CID61033992
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1F
InChIInChI=1S/C11H16FN/c1-3-6-13-8-10-7-9(2)4-5-11(10)12/h4-5,7,13H,3,6,8H2,1-2H3
InChIKeyTWWGLZGQCXNEHS-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]pentan-1-amine
CID 115632172
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720816
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801
N-[[5-chloro-2-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
CID 66159702
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63887724
N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 64984782
N-[(2-fluoro-5-methylphenyl)methyl]but-2-yn-1-amine
CID 115866443
2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine
CID 114053767
N-[[5-(2,5-difluorophenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 61032745

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine (CID 61033992) is N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine is CCCNCc1cc(C)ccc1F.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is TWWGLZGQCXNEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-6-13-8-10-7-9(2)4-5-11(10)12/h4-5,7,13H,3,6,8H2,1-2H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 61033992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).