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

C15H22F3NO2 — CID 63897713

IUPAC2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine
SMILESCCCOc1ccc(C(C)(N)C(F)(F)F)cc1OCCC
InChIInChI=1S/C15H22F3NO2/c1-4-8-20-12-7-6-11(10-13(12)21-9-5-2)14(3,19)15(16,17)18/h6-7,10H,4-5,8-9,19H2,1-3H3
InChIKeyMDEYJICZFCCWRL-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.00
Rot. Bonds7

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

2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine (PubChem CID 63897713) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine
PubChem CID63897713
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine
SMILESCCCOc1ccc(C(C)(N)C(F)(F)F)cc1OCCC
InChIInChI=1S/C15H22F3NO2/c1-4-8-20-12-7-6-11(10-13(12)21-9-5-2)14(3,19)15(16,17)18/h6-7,10H,4-5,8-9,19H2,1-3H3
InChIKeyMDEYJICZFCCWRL-UHFFFAOYSA-N
XLogP4.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine
CID 80605959
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
1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol
CID 83949751
4-tert-butyl-1,2-bis(3-chloropropoxy)benzene
CID 13295778
3,4-dipropoxybenzenethiol
CID 28939740
4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline
CID 143655981
N-butyl-3,4-dipropoxyaniline
CID 83961551
5-tert-butyl-N-methyl-2-propoxyaniline
CID 82264393
2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119265988
4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65301015

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine (CID 63897713) is 2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine is CCCOc1ccc(C(C)(N)C(F)(F)F)cc1OCCC.
What is the InChIKey of 2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is MDEYJICZFCCWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-4-8-20-12-7-6-11(10-13(12)21-9-5-2)14(3,19)15(16,17)18/h6-7,10H,4-5,8-9,19H2,1-3H3.
What are the key properties of 2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine?
2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 305.34 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 63897713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).