N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine

C16H23F2N — CID 107177374

IUPACN-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)C1CCCC1(C)C
InChIInChI=1S/C16H23F2N/c1-4-19-15(13-6-5-9-16(13,2)3)12-10-11(17)7-8-14(12)18/h7-8,10,13,15,19H,4-6,9H2,1-3H3
InChIKeyFFTDSAXAWKQROI-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.44
Rot. Bonds4

About N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine

N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine (PubChem CID 107177374) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
PubChem CID107177374
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)C1CCCC1(C)C
InChIInChI=1S/C16H23F2N/c1-4-19-15(13-6-5-9-16(13,2)3)12-10-11(17)7-8-14(12)18/h7-8,10,13,15,19H,4-6,9H2,1-3H3
InChIKeyFFTDSAXAWKQROI-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177443
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954
N-[(2,2-dimethylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107188716
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107177444
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
N-[(2,2-dimethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107190887
N-[(2-chloro-4,5-difluorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107476517
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[(2,2-dimethylcyclopentyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 107177420
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine
CID 80626288

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine (CID 107177374) is N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine is CCNC(c1cc(F)ccc1F)C1CCCC1(C)C.
What is the InChIKey of N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The InChIKey is FFTDSAXAWKQROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-4-19-15(13-6-5-9-16(13,2)3)12-10-11(17)7-8-14(12)18/h7-8,10,13,15,19H,4-6,9H2,1-3H3.
What are the key properties of N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107177374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).