3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C15H24FN — CID 64664397

IUPAC3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCc1cc(F)ccc1CC(C)CNCC(C)C
InChIInChI=1S/C15H24FN/c1-11(2)9-17-10-12(3)7-14-5-6-15(16)8-13(14)4/h5-6,8,11-12,17H,7,9-10H2,1-4H3
InChIKeyHBGLLPFFIUVQII-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.56
Rot. Bonds6

About 3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 64664397) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID64664397
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCc1cc(F)ccc1CC(C)CNCC(C)C
InChIInChI=1S/C15H24FN/c1-11(2)9-17-10-12(3)7-14-5-6-15(16)8-13(14)4/h5-6,8,11-12,17H,7,9-10H2,1-4H3
InChIKeyHBGLLPFFIUVQII-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 64664802
4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543
1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665030
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114348792
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
3-(4-fluoro-2-methylphenyl)-2-methylpropanal
CID 64665995
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114349189
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 114349347
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114349033

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 64664397) is 3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is Cc1cc(F)ccc1CC(C)CNCC(C)C.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is HBGLLPFFIUVQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-11(2)9-17-10-12(3)7-14-5-6-15(16)8-13(14)4/h5-6,8,11-12,17H,7,9-10H2,1-4H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 64664397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).