N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine

C14H22FN — CID 115630753

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(F)c(C)c1
InChIInChI=1S/C14H22FN/c1-5-14(4,6-2)16-10-12-7-8-13(15)11(3)9-12/h7-9,16H,5-6,10H2,1-4H3
InChIKeyBXQXEHGYVRWUKZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.80
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine

N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine (PubChem CID 115630753) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
PubChem CID115630753
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(F)c(C)c1
InChIInChI=1S/C14H22FN/c1-5-14(4,6-2)16-10-12-7-8-13(15)11(3)9-12/h7-9,16H,5-6,10H2,1-4H3
InChIKeyBXQXEHGYVRWUKZ-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131868
N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine
CID 106328069
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 81145012
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 107643878
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
CID 106328638
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
CID 115154630
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine (CID 115630753) is N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine is CCC(C)(CC)NCc1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine?
The InChIKey is BXQXEHGYVRWUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-14(4,6-2)16-10-12-7-8-13(15)11(3)9-12/h7-9,16H,5-6,10H2,1-4H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine is sourced from PubChem (CID 115630753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).