1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine

C15H21BrFNO — CID 103987220

IUPAC1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
SMILESCCNC(Cc1ccc(F)c(Br)c1)CC1CCOC1
InChIInChI=1S/C15H21BrFNO/c1-2-18-13(8-12-5-6-19-10-12)7-11-3-4-15(17)14(16)9-11/h3-4,9,12-13,18H,2,5-8,10H2,1H3
InChIKeyGQMPBCDZPIEETD-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.54
Rot. Bonds6

About 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine

1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine (PubChem CID 103987220) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
PubChem CID103987220
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
SMILESCCNC(Cc1ccc(F)c(Br)c1)CC1CCOC1
InChIInChI=1S/C15H21BrFNO/c1-2-18-13(8-12-5-6-19-10-12)7-11-3-4-15(17)14(16)9-11/h3-4,9,12-13,18H,2,5-8,10H2,1H3
InChIKeyGQMPBCDZPIEETD-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 114856904
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
1-(3-bromo-4-fluorophenyl)-3-(1,1-dioxothiolan-3-yl)-N-ethylpropan-2-amine
CID 105111662
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
4-[2-(ethylamino)-3-(oxolan-3-yl)propyl]pyridin-2-amine
CID 103987201
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 115818461
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
2-(3-bromo-4-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 65352587
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
CID 65143955
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113391425

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine (CID 103987220) is 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine is CCNC(Cc1ccc(F)c(Br)c1)CC1CCOC1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is GQMPBCDZPIEETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-18-13(8-12-5-6-19-10-12)7-11-3-4-15(17)14(16)9-11/h3-4,9,12-13,18H,2,5-8,10H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine?
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 330.24 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 103987220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).