1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine

C14H22FN — CID 115834345

IUPAC1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1cccc(C)c1F
InChIInChI=1S/C14H22FN/c1-10(2)8-9-13(16-4)12-7-5-6-11(3)14(12)15/h5-7,10,13,16H,8-9H2,1-4H3
InChIKeyYHEANPBHEJRJSE-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine

1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine (PubChem CID 115834345) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
PubChem CID115834345
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1cccc(C)c1F
InChIInChI=1S/C14H22FN/c1-10(2)8-9-13(16-4)12-7-5-6-11(3)14(12)15/h5-7,10,13,16H,8-9H2,1-4H3
InChIKeyYHEANPBHEJRJSE-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
CID 127004323
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848387
N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
CID 105028931
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
N,4-dimethyl-1-(2-methyl-3-pyridinyl)pentan-1-amine
CID 105126712
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
CID 105005948
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
1-(2-bromo-3,4-difluorophenyl)-N,4-dimethylpentan-1-amine
CID 107538949
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine (CID 115834345) is 1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine?
The InChIKey is YHEANPBHEJRJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-10(2)8-9-13(16-4)12-7-5-6-11(3)14(12)15/h5-7,10,13,16H,8-9H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine?
1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 115834345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).