N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine

C12H18FNO — CID 62120372

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccc(F)c(C)c1
InChIInChI=1S/C12H18FNO/c1-9-6-11(4-5-12(9)13)7-14-10(2)8-15-3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyOSKBIGUJYGLOBZ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.26
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine

N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 62120372) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine
PubChem CID62120372
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccc(F)c(C)c1
InChIInChI=1S/C12H18FNO/c1-9-6-11(4-5-12(9)13)7-14-10(2)8-15-3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyOSKBIGUJYGLOBZ-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine (CID 62120372) is N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine is COCC(C)NCc1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is OSKBIGUJYGLOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-6-11(4-5-12(9)13)7-14-10(2)8-15-3/h4-6,10,14H,7-8H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 62120372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).