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

C15H21BrFNO — CID 65328252

IUPACN-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1F)C1CCCO1
InChIInChI=1S/C15H21BrFNO/c1-2-7-18-14(15-4-3-8-19-15)9-11-5-6-12(16)10-13(11)17/h5-6,10,14-15,18H,2-4,7-9H2,1H3
InChIKeyLQAAKSBMWNJOGY-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.68
Rot. Bonds6

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

N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 65328252) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID65328252
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC NameN-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1F)C1CCCO1
InChIInChI=1S/C15H21BrFNO/c1-2-7-18-14(15-4-3-8-19-15)9-11-5-6-12(16)10-13(11)17/h5-6,10,14-15,18H,2-4,7-9H2,1H3
InChIKeyLQAAKSBMWNJOGY-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
D-threo-alpha-Benzyl-N-ethyltetrahydrofurfurylamine
CID 253826
N-(4-bromobenzyl)-N-(tetrahydro-2-furanylmethyl)amine
CID 2958991
ethyl((1R)-1-((2R)-oxolan-2-yl)-2-phenylethyl)amine hydrochloride
CID 165881972
Ethyl(1-(oxolan-2-yl)-2-phenylethyl)amine hydrochloride
CID 146155399
1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103025115
1-(4-bromo-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025116
2-[[(4-Bromophenyl)-(oxolan-2-yl)methyl]amino]propan-1-ol
CID 86784053
8-[2-(4-Bromo-2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 89710815
8-[2-(4-Bromo-3-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 90370353
N-[(4-bromo-3-fluorophenyl)methyl]-1-propoxypropan-2-amine
CID 91074179
(5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine
CID 155576990

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine (CID 65328252) is N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1F)C1CCCO1.
What is the InChIKey of N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is LQAAKSBMWNJOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-7-18-14(15-4-3-8-19-15)9-11-5-6-12(16)10-13(11)17/h5-6,10,14-15,18H,2-4,7-9H2,1H3.
What are the key properties of N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 330.24 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-fluorophenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65328252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).