2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine

C15H23F2NO2 — CID 80605959

IUPAC2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine
SMILESCCCOc1ccc(C(C)(N)C(F)F)cc1OCCC
InChIInChI=1S/C15H23F2NO2/c1-4-8-19-12-7-6-11(15(3,18)14(16)17)10-13(12)20-9-5-2/h6-7,10,14H,4-5,8-9,18H2,1-3H3
InChIKeySXQNIFVTRZKBKT-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.70
Rot. Bonds8

About 2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine

2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine (PubChem CID 80605959) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine
PubChem CID80605959
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine
SMILESCCCOc1ccc(C(C)(N)C(F)F)cc1OCCC
InChIInChI=1S/C15H23F2NO2/c1-4-8-19-12-7-6-11(15(3,18)14(16)17)10-13(12)20-9-5-2/h6-7,10,14H,4-5,8-9,18H2,1-3H3
InChIKeySXQNIFVTRZKBKT-UHFFFAOYSA-N
XLogP3.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine
CID 63897713
2-amino-2-(3,4-dipropoxyphenyl)propanamide
CID 60795322
3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 79837807
2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol
CID 61056737
4-(1-bromo-2,2-dimethylpropyl)-1,2-dipropoxybenzene
CID 63440204
4-tert-butyl-1,2-bis(3-chloropropoxy)benzene
CID 13295778
4-bromo-2-tert-butyl-1-propoxybenzene
CID 22619457
3,4-dipropoxybenzenethiol
CID 28939740
1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
CID 82264401
5-tert-butyl-N-methyl-2-propoxyaniline
CID 82264393
N-butyl-3,4-dipropoxyaniline
CID 83961551
2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119265988

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine (CID 80605959) is 2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine is CCCOc1ccc(C(C)(N)C(F)F)cc1OCCC.
What is the InChIKey of 2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine?
The InChIKey is SXQNIFVTRZKBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-4-8-19-12-7-6-11(15(3,18)14(16)17)10-13(12)20-9-5-2/h6-7,10,14H,4-5,8-9,18H2,1-3H3.
What are the key properties of 2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine?
2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine has a molecular weight of 287.35 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 80605959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).