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

C10H12ClF2N — CID 117313615

IUPAC1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)cc(F)c1Cl
InChIInChI=1S/C10H12ClF2N/c1-10(2,14)5-6-3-7(12)4-8(13)9(6)11/h3-4H,5,14H2,1-2H3
InChIKeyDCDNZXGPCMUVBY-UHFFFAOYSA-N
MW219.66 g/mol
LogP2.90
Rot. Bonds2

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

1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine (PubChem CID 117313615) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
PubChem CID117313615
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)cc(F)c1Cl
InChIInChI=1S/C10H12ClF2N/c1-10(2,14)5-6-3-7(12)4-8(13)9(6)11/h3-4H,5,14H2,1-2H3
InChIKeyDCDNZXGPCMUVBY-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84796627
1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117335601
1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 117404058
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
2-(2-chloro-3,5-difluorophenyl)ethanol
CID 117283325
1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
CID 84773708
5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
CID 117335588
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366841

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine (CID 117313615) is 1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1cc(F)cc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine?
The InChIKey is DCDNZXGPCMUVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-10(2,14)5-6-3-7(12)4-8(13)9(6)11/h3-4H,5,14H2,1-2H3.
What are the key properties of 1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine?
1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine has a molecular weight of 219.66 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117313615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).