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

C19H23F2N — CID 83975162

IUPAC3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
SMILESCC(C)(C)c1ccc(CC(CN)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H23F2N/c1-19(2,3)15-6-4-13(5-7-15)10-14(12-22)17-9-8-16(20)11-18(17)21/h4-9,11,14H,10,12,22H2,1-3H3
InChIKeyFZKYAWCNTLQYLX-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.55
Rot. Bonds4

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

3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine (PubChem CID 83975162) has the molecular formula C19H23F2N and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
PubChem CID83975162
Molecular FormulaC19H23F2N
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
SMILESCC(C)(C)c1ccc(CC(CN)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H23F2N/c1-19(2,3)15-6-4-13(5-7-15)10-14(12-22)17-9-8-16(20)11-18(17)21/h4-9,11,14H,10,12,22H2,1-3H3
InChIKeyFZKYAWCNTLQYLX-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

2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 83975158
3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973688
2-(2,4-difluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 112539034
2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 83975169
4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
CID 83975161
2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974869
2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 63411155
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
2-(2,4-difluorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 83975191
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83973179

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine (CID 83975162) is 3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine is CC(C)(C)c1ccc(CC(CN)c2ccc(F)cc2F)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine?
The InChIKey is FZKYAWCNTLQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N/c1-19(2,3)15-6-4-13(5-7-15)10-14(12-22)17-9-8-16(20)11-18(17)21/h4-9,11,14H,10,12,22H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine?
3-(4-tert-butylphenyl)-2-(2,4-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-(2,4-difluorophenyl)propan-1-amine is sourced from PubChem (CID 83975162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).