N-cyclopentyl-3-fluoro-N,2-dimethylaniline

C13H18FN — CID 66962308

IUPACN-cyclopentyl-3-fluoro-N,2-dimethylaniline
SMILESCc1c(F)cccc1N(C)C1CCCC1
InChIInChI=1S/C13H18FN/c1-10-12(14)8-5-9-13(10)15(2)11-6-3-4-7-11/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeySELWIWODFDXFDO-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.51
Rot. Bonds2

About N-cyclopentyl-3-fluoro-N,2-dimethylaniline

N-cyclopentyl-3-fluoro-N,2-dimethylaniline (PubChem CID 66962308) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-cyclopentyl-3-fluoro-N,2-dimethylaniline.

Molecular Properties

Compound NameN-cyclopentyl-3-fluoro-N,2-dimethylaniline
PubChem CID66962308
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-cyclopentyl-3-fluoro-N,2-dimethylaniline
SMILESCc1c(F)cccc1N(C)C1CCCC1
InChIInChI=1S/C13H18FN/c1-10-12(14)8-5-9-13(10)15(2)11-6-3-4-7-11/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeySELWIWODFDXFDO-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine
CID 63077474
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline
CID 114065952
N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 79516525
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile
CID 115650123
N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
CID 138393814
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
N-cyclohexyl-2,3,4-trifluoro-N-methylaniline
CID 110454518
2,3-dichloro-N-cyclopentyl-N-methylaniline
CID 66960790
3-fluoro-1-N-methyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 60790197

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-fluoro-N,2-dimethylaniline?
The IUPAC name of N-cyclopentyl-3-fluoro-N,2-dimethylaniline (CID 66962308) is N-cyclopentyl-3-fluoro-N,2-dimethylaniline.
What is the SMILES notation for N-cyclopentyl-3-fluoro-N,2-dimethylaniline?
The canonical SMILES for N-cyclopentyl-3-fluoro-N,2-dimethylaniline is Cc1c(F)cccc1N(C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3-fluoro-N,2-dimethylaniline?
The InChIKey is SELWIWODFDXFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-12(14)8-5-9-13(10)15(2)11-6-3-4-7-11/h5,8-9,11H,3-4,6-7H2,1-2H3.
What are the key properties of N-cyclopentyl-3-fluoro-N,2-dimethylaniline?
N-cyclopentyl-3-fluoro-N,2-dimethylaniline has a molecular weight of 207.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-fluoro-N,2-dimethylaniline is sourced from PubChem (CID 66962308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).