N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine

C14H22FN — CID 62201141

IUPACN-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccc(F)cc1C
InChIInChI=1S/C14H22FN/c1-4-5-6-12(3)16-10-13-7-8-14(15)9-11(13)2/h7-9,12,16H,4-6,10H2,1-3H3
InChIKeySBTZIXYNTDXUPC-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.80
Rot. Bonds6

About N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine

N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine (PubChem CID 62201141) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
PubChem CID62201141
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccc(F)cc1C
InChIInChI=1S/C14H22FN/c1-4-5-6-12(3)16-10-13-7-8-14(15)9-11(13)2/h7-9,12,16H,4-6,10H2,1-3H3
InChIKeySBTZIXYNTDXUPC-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine
CID 105370909
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63012959
1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
CID 113407488
N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine
CID 43080523
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 81297245
1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587
3-fluoro-4-[(hexan-2-ylamino)methyl]benzonitrile
CID 62199121
4-bromo-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-2-amine
CID 114349186

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine (CID 62201141) is N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine is CCCCC(C)NCc1ccc(F)cc1C.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine?
The InChIKey is SBTZIXYNTDXUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-5-6-12(3)16-10-13-7-8-14(15)9-11(13)2/h7-9,12,16H,4-6,10H2,1-3H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine?
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine is sourced from PubChem (CID 62201141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).