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

C14H22FN — CID 105373717

IUPAC1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FN/c1-4-8-16-14(5-2)10-12-9-13(15)7-6-11(12)3/h6-7,9,14,16H,4-5,8,10H2,1-3H3
InChIKeyUNFCGSWRBJECCN-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.45
Rot. Bonds6

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

1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine (PubChem CID 105373717) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
PubChem CID105373717
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FN/c1-4-8-16-14(5-2)10-12-9-13(15)7-6-11(12)3/h6-7,9,14,16H,4-5,8,10H2,1-3H3
InChIKeyUNFCGSWRBJECCN-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105373823
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
CID 105375522
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 105374194
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 105373741
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377335

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine (CID 105373717) is 1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine is CCCNC(CC)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine?
The InChIKey is UNFCGSWRBJECCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-8-16-14(5-2)10-12-9-13(15)7-6-11(12)3/h6-7,9,14,16H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine?
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 3.45, 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)-N-propylbutan-2-amine is sourced from PubChem (CID 105373717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).