N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine

C15H24FN — CID 63644837

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
SMILESCc1ccc(CNC(C)CCC(C)C)cc1F
InChIInChI=1S/C15H24FN/c1-11(2)5-7-13(4)17-10-14-8-6-12(3)15(16)9-14/h6,8-9,11,13,17H,5,7,10H2,1-4H3
InChIKeyBGKIHBCLBCNFQI-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.05
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine

N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine (PubChem CID 63644837) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
PubChem CID63644837
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
SMILESCc1ccc(CNC(C)CCC(C)C)cc1F
InChIInChI=1S/C15H24FN/c1-11(2)5-7-13(4)17-10-14-8-6-12(3)15(16)9-14/h6,8-9,11,13,17H,5,7,10H2,1-4H3
InChIKeyBGKIHBCLBCNFQI-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
N-[(3-chloro-4-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63478376
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine
CID 43081026
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
2-N-[(3-fluoro-4-methylphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 63646229
methyl 2-fluoro-4-[(5-methylhexan-2-ylamino)methyl]benzoate
CID 106700083
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine
CID 113237519
methyl 2-[(3-fluoro-4-methylphenyl)methylamino]propanoate
CID 63646729
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63644521

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine (CID 63644837) is N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine is Cc1ccc(CNC(C)CCC(C)C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine?
The InChIKey is BGKIHBCLBCNFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-11(2)5-7-13(4)17-10-14-8-6-12(3)15(16)9-14/h6,8-9,11,13,17H,5,7,10H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine?
N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine is sourced from PubChem (CID 63644837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).