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

C14H22FN — CID 105374860

IUPAC2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
SMILESCCCC(CNC)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FN/c1-4-5-12(10-16-3)8-13-9-14(15)7-6-11(13)2/h6-7,9,12,16H,4-5,8,10H2,1-3H3
InChIKeyAURJZKCHYDBIHZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.31
Rot. Bonds6

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

2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine (PubChem CID 105374860) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
PubChem CID105374860
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
SMILESCCCC(CNC)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FN/c1-4-5-12(10-16-3)8-13-9-14(15)7-6-11(13)2/h6-7,9,12,16H,4-5,8,10H2,1-3H3
InChIKeyAURJZKCHYDBIHZ-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105374875
2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 105374882
1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine
CID 105374363
2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 62530745
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 62528521
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 105376275
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62529520

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine (CID 105374860) is 2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine is CCCC(CNC)Cc1cc(F)ccc1C.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine?
The InChIKey is AURJZKCHYDBIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-5-12(10-16-3)8-13-9-14(15)7-6-11(13)2/h6-7,9,12,16H,4-5,8,10H2,1-3H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine?
2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 105374860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).