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

C15H24FN — CID 113237519

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

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

N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine (PubChem CID 113237519) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine
PubChem CID113237519
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine
SMILESCc1ccc(F)c(CNC(C)CCC(C)C)c1
InChIInChI=1S/C15H24FN/c1-11(2)5-7-13(4)17-10-14-9-12(3)6-8-15(14)16/h6,8-9,11,13,17H,5,7,10H2,1-4H3
InChIKeyFUVDUNTXFZEFQK-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

N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 115632231
3-[(2-fluoro-5-methylphenyl)methylamino]butanenitrile
CID 104586862
N-[(4-chloro-2-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 114841421
4-chloro-N-[(5-chloro-2-fluorophenyl)methyl]butan-2-amine
CID 103050046
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880970
(1R)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880955
N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
CID 63644837
N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine
CID 43080523
N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 143626004
N-[(3-chloro-4-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63478376
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]butan-2-amine
CID 83186890
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63452803

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine (CID 113237519) is N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine is Cc1ccc(F)c(CNC(C)CCC(C)C)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine?
The InChIKey is FUVDUNTXFZEFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-11(2)5-7-13(4)17-10-14-9-12(3)6-8-15(14)16/h6,8-9,11,13,17H,5,7,10H2,1-4H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine?
N-[(2-fluoro-5-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-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine is sourced from PubChem (CID 113237519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).