1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine

C15H24FN — CID 105373704

IUPAC1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(F)ccc1C)C(C)C
InChIInChI=1S/C15H24FN/c1-5-8-17-15(11(2)3)10-13-9-14(16)7-6-12(13)4/h6-7,9,11,15,17H,5,8,10H2,1-4H3
InChIKeyBDMONJJZZKYCGT-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.70
Rot. Bonds6

About 1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine

1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine (PubChem CID 105373704) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
PubChem CID105373704
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(F)ccc1C)C(C)C
InChIInChI=1S/C15H24FN/c1-5-8-17-15(11(2)3)10-13-9-14(16)7-6-12(13)4/h6-7,9,11,15,17H,5,8,10H2,1-4H3
InChIKeyBDMONJJZZKYCGT-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 105374110
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377335
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 105374194
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377444
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 105373741
3-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 105373925
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115968005

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine (CID 105373704) is 1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1cc(F)ccc1C)C(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine?
The InChIKey is BDMONJJZZKYCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-8-17-15(11(2)3)10-13-9-14(16)7-6-12(13)4/h6-7,9,11,15,17H,5,8,10H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine?
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 105373704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).