2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine

C12H17F2NO — CID 83893597

IUPAC2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1c(F)cc(F)cc1C(C)CN
InChIInChI=1S/C12H17F2NO/c1-7(2)16-12-10(8(3)6-15)4-9(13)5-11(12)14/h4-5,7-8H,6,15H2,1-3H3
InChIKeyBWZXNXRVEGJQIA-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.81
Rot. Bonds4

About 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine

2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 83893597) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine
PubChem CID83893597
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1c(F)cc(F)cc1C(C)CN
InChIInChI=1S/C12H17F2NO/c1-7(2)16-12-10(8(3)6-15)4-9(13)5-11(12)14/h4-5,7-8H,6,15H2,1-3H3
InChIKeyBWZXNXRVEGJQIA-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
CID 83895005
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine
CID 117309703
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
3-(3,5-difluoro-2-methoxyphenyl)butanal
CID 117305267
2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117333867
3-(3,5-difluoro-2-methylphenyl)butan-1-amine
CID 117288664
1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
CID 125116033
2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 83900254
1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine (CID 83893597) is 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine is CC(C)Oc1c(F)cc(F)cc1C(C)CN.
What is the InChIKey of 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is BWZXNXRVEGJQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-7(2)16-12-10(8(3)6-15)4-9(13)5-11(12)14/h4-5,7-8H,6,15H2,1-3H3.
What are the key properties of 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine?
2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 83893597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).