4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine

C15H20BrF2N — CID 106273011

IUPAC4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine
SMILESCCNC(CCCc1c(F)ccc(Br)c1F)C1CC1
InChIInChI=1S/C15H20BrF2N/c1-2-19-14(10-6-7-10)5-3-4-11-13(17)9-8-12(16)15(11)18/h8-10,14,19H,2-7H2,1H3
InChIKeyHZIVREJMUAHTJJ-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.44
Rot. Bonds7

About 4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine

4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine (PubChem CID 106273011) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine
PubChem CID106273011
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine
SMILESCCNC(CCCc1c(F)ccc(Br)c1F)C1CC1
InChIInChI=1S/C15H20BrF2N/c1-2-19-14(10-6-7-10)5-3-4-11-13(17)9-8-12(16)15(11)18/h8-10,14,19H,2-7H2,1H3
InChIKeyHZIVREJMUAHTJJ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.44
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

3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 106264660
2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine
CID 106267625
6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
CID 114166902
1-(3-bromo-2,6-difluorophenyl)-N-propylheptan-4-amine
CID 106272992
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
CID 107514365
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol
CID 106273091
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
CID 106943498
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-3-amine
CID 106263388
4-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 106263121

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine?
The IUPAC name of 4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine (CID 106273011) is 4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine?
The canonical SMILES for 4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine is CCNC(CCCc1c(F)ccc(Br)c1F)C1CC1.
What is the InChIKey of 4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine?
The InChIKey is HZIVREJMUAHTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-2-19-14(10-6-7-10)5-3-4-11-13(17)9-8-12(16)15(11)18/h8-10,14,19H,2-7H2,1H3.
What are the key properties of 4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine?
4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine has a molecular weight of 332.23 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine is sourced from PubChem (CID 106273011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).