1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine

C14H22FN — CID 115837280

IUPAC1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1cc(C)ccc1F
InChIInChI=1S/C14H22FN/c1-4-5-6-7-14(16-3)12-10-11(2)8-9-13(12)15/h8-10,14,16H,4-7H2,1-3H3
InChIKeyDCDXMRPYJWCBJX-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.97
Rot. Bonds6

About 1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine

1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine (PubChem CID 115837280) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
PubChem CID115837280
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1cc(C)ccc1F
InChIInChI=1S/C14H22FN/c1-4-5-6-7-14(16-3)12-10-11(2)8-9-13(12)15/h8-10,14,16H,4-7H2,1-3H3
InChIKeyDCDXMRPYJWCBJX-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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

1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(2-bromo-4-methylphenyl)-N-methylundecan-1-amine
CID 115845869
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105143233
1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 81279034
1-(2-fluoro-4-methylphenyl)hexylhydrazine
CID 105294599
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine (CID 115837280) is 1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine is CCCCCC(NC)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine?
The InChIKey is DCDXMRPYJWCBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-5-6-7-14(16-3)12-10-11(2)8-9-13(12)15/h8-10,14,16H,4-7H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine?
1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 115837280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).