3-(2,5-difluorophenyl)-2-methylpropan-1-amine

C10H13F2N — CID 62505348

IUPAC3-(2,5-difluorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cc(F)ccc1F
InChIInChI=1S/C10H13F2N/c1-7(6-13)4-8-5-9(11)2-3-10(8)12/h2-3,5,7H,4,6,13H2,1H3
InChIKeyAWZIIZMRFWIZBS-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.10
Rot. Bonds3

About 3-(2,5-difluorophenyl)-2-methylpropan-1-amine

3-(2,5-difluorophenyl)-2-methylpropan-1-amine (PubChem CID 62505348) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-2-methylpropan-1-amine
PubChem CID62505348
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name3-(2,5-difluorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cc(F)ccc1F
InChIInChI=1S/C10H13F2N/c1-7(6-13)4-8-5-9(11)2-3-10(8)12/h2-3,5,7H,4,6,13H2,1H3
InChIKeyAWZIIZMRFWIZBS-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
4-(2,5-difluorophenyl)-3-methylbutanoic acid
CID 58950420
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144
2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide
CID 55034612
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
[1-(2,5-difluorophenyl)-4-methylhexan-2-yl]hydrazine
CID 105288918
2-(3-chloro-2-methylpentyl)-1,4-difluorobenzene
CID 63559937
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-(3-bromo-2-methylpentyl)-1,4-difluorobenzene
CID 63560139
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
[2-(2,5-difluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105194039
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115809781

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)-2-methylpropan-1-amine (CID 62505348) is 3-(2,5-difluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)-2-methylpropan-1-amine is CC(CN)Cc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-2-methylpropan-1-amine?
The InChIKey is AWZIIZMRFWIZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7(6-13)4-8-5-9(11)2-3-10(8)12/h2-3,5,7H,4,6,13H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-2-methylpropan-1-amine?
3-(2,5-difluorophenyl)-2-methylpropan-1-amine has a molecular weight of 185.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 62505348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).