3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine

C12H16F2N2 — CID 82818304

IUPAC3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(F)c(NC2CCC(N)C2)c1F
InChIInChI=1S/C12H16F2N2/c1-7-2-5-10(13)12(11(7)14)16-9-4-3-8(15)6-9/h2,5,8-9,16H,3-4,6,15H2,1H3
InChIKeyRAAKLRNIVWZQMW-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.56
Rot. Bonds2

About 3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine

3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine (PubChem CID 82818304) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine
PubChem CID82818304
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(F)c(NC2CCC(N)C2)c1F
InChIInChI=1S/C12H16F2N2/c1-7-2-5-10(13)12(11(7)14)16-9-4-3-8(15)6-9/h2,5,8-9,16H,3-4,6,15H2,1H3
InChIKeyRAAKLRNIVWZQMW-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
CID 79462820
N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine
CID 82818303
N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine
CID 82818446
1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine
CID 79458634
3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine
CID 79461969
3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine
CID 83076893
N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82816513
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
3-N-(4-methylphenyl)cyclopentane-1,3-diamine
CID 79461968
(3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116587316
2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline
CID 82815625
3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
CID 79462336

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine (CID 82818304) is 3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine is Cc1ccc(F)c(NC2CCC(N)C2)c1F.
What is the InChIKey of 3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine?
The InChIKey is RAAKLRNIVWZQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-7-2-5-10(13)12(11(7)14)16-9-4-3-8(15)6-9/h2,5,8-9,16H,3-4,6,15H2,1H3.
What are the key properties of 3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine?
3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine has a molecular weight of 226.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 82818304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).