N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline

C13H17F2N — CID 103584848

IUPACN-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
SMILESCc1cc(F)c(NCC2CCCC2)cc1F
InChIInChI=1S/C13H17F2N/c1-9-6-12(15)13(7-11(9)14)16-8-10-4-2-3-5-10/h6-7,10,16H,2-5,8H2,1H3
InChIKeyHWVINOPCWQVLSA-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.88
Rot. Bonds3

About N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline

N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline (PubChem CID 103584848) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
PubChem CID103584848
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
SMILESCc1cc(F)c(NCC2CCCC2)cc1F
InChIInChI=1S/C13H17F2N/c1-9-6-12(15)13(7-11(9)14)16-8-10-4-2-3-5-10/h6-7,10,16H,2-5,8H2,1H3
InChIKeyHWVINOPCWQVLSA-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline
CID 103584772
2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline
CID 103584964
4-bromo-N-(cyclopentylmethyl)-2,5-difluoroaniline
CID 107609807
5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline
CID 107591726
N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline
CID 142361453
2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 103585674
4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
CID 29052172
4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120184
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,5-difluoro-4-methylaniline
CID 103585133
2-chloro-4-fluoro-5-methyl-N-(piperidin-3-ylmethyl)aniline
CID 112734596
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
4-bromo-2,5-difluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107609339

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline?
The IUPAC name of N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline (CID 103584848) is N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline is Cc1cc(F)c(NCC2CCCC2)cc1F.
What is the InChIKey of N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline?
The InChIKey is HWVINOPCWQVLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-6-12(15)13(7-11(9)14)16-8-10-4-2-3-5-10/h6-7,10,16H,2-5,8H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline?
N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline has a molecular weight of 225.28 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103584848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).