3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine

C19H23F2N — CID 83973688

IUPAC3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
SMILESCC(C)(C)c1ccc(CC(CN)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H23F2N/c1-19(2,3)16-7-4-13(5-8-16)10-15(12-22)14-6-9-17(20)18(21)11-14/h4-9,11,15H,10,12,22H2,1-3H3
InChIKeyVXUSOTPLLWTMLM-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.55
Rot. Bonds4

About 3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine

3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine (PubChem CID 83973688) has the molecular formula C19H23F2N and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
PubChem CID83973688
Molecular FormulaC19H23F2N
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
SMILESCC(C)(C)c1ccc(CC(CN)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H23F2N/c1-19(2,3)16-7-4-13(5-8-16)10-15(12-22)14-6-9-17(20)18(21)11-14/h4-9,11,15H,10,12,22H2,1-3H3
InChIKeyVXUSOTPLLWTMLM-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
CID 83975162
3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
3-(4-tert-butylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 82140141
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 112538891
2-(4-tert-butylphenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107992613
2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83973683

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine (CID 83973688) is 3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine is CC(C)(C)c1ccc(CC(CN)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine?
The InChIKey is VXUSOTPLLWTMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N/c1-19(2,3)16-7-4-13(5-8-16)10-15(12-22)14-6-9-17(20)18(21)11-14/h4-9,11,15H,10,12,22H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine?
3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine has a molecular weight of 303.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine is sourced from PubChem (CID 83973688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).