[1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine

C13H17ClFN — CID 116842767

IUPAC[1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCc1cc(Cl)c(C2(CN)CC2(C)C)cc1F
InChIInChI=1S/C13H17ClFN/c1-8-4-10(14)9(5-11(8)15)13(7-16)6-12(13,2)3/h4-5H,6-7,16H2,1-3H3
InChIKeyGVHCPDRJSOCQFC-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.41
Rot. Bonds2

About [1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine

[1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 116842767) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is [1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID116842767
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name[1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCc1cc(Cl)c(C2(CN)CC2(C)C)cc1F
InChIInChI=1S/C13H17ClFN/c1-8-4-10(14)9(5-11(8)15)13(7-16)6-12(13,2)3/h4-5H,6-7,16H2,1-3H3
InChIKeyGVHCPDRJSOCQFC-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol
CID 116963511
1-[3-(2-chloro-5-fluoro-4-methylphenyl)oxetan-3-yl]ethanamine
CID 116869436
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
3-(2-chloro-5-fluoro-4-methylphenyl)oxetane-3-carbaldehyde
CID 116872429
[1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 131460343
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495
2-[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperazin-1-yl]ethanamine
CID 117045111
2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
CID 116838633
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine (CID 116842767) is [1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine is Cc1cc(Cl)c(C2(CN)CC2(C)C)cc1F.
What is the InChIKey of [1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is GVHCPDRJSOCQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-8-4-10(14)9(5-11(8)15)13(7-16)6-12(13,2)3/h4-5H,6-7,16H2,1-3H3.
What are the key properties of [1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
[1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 241.74 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 116842767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).