3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine

C16H22BrF2N — CID 106264660

IUPAC3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNC(CCc1c(F)ccc(Br)c1F)C1CCCC1
InChIInChI=1S/C16H22BrF2N/c1-2-20-15(11-5-3-4-6-11)10-7-12-14(18)9-8-13(17)16(12)19/h8-9,11,15,20H,2-7,10H2,1H3
InChIKeyDFAICFVRBLPADO-UHFFFAOYSA-N
MW346.26 g/mol
LogP4.83
Rot. Bonds6

About 3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine

3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine (PubChem CID 106264660) has the molecular formula C16H22BrF2N and a molecular weight of 346.26 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
PubChem CID106264660
Molecular FormulaC16H22BrF2N
Molecular Weight346.26 g/mol
Exact Mass345.09
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNC(CCc1c(F)ccc(Br)c1F)C1CCCC1
InChIInChI=1S/C16H22BrF2N/c1-2-20-15(11-5-3-4-6-11)10-7-12-14(18)9-8-13(17)16(12)19/h8-9,11,15,20H,2-7,10H2,1H3
InChIKeyDFAICFVRBLPADO-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine
CID 106273011
2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine
CID 106267625
3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 114850824
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
CID 107514365
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 106271623
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine (CID 106264660) is 3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine is CCNC(CCc1c(F)ccc(Br)c1F)C1CCCC1.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine?
The InChIKey is DFAICFVRBLPADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrF2N/c1-2-20-15(11-5-3-4-6-11)10-7-12-14(18)9-8-13(17)16(12)19/h8-9,11,15,20H,2-7,10H2,1H3.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine?
3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine has a molecular weight of 346.26 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine is sourced from PubChem (CID 106264660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).