1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine

C15H22BrNO — CID 113424548

IUPAC1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCC(NCCC1CCOC1)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-2-15(13-4-3-5-14(16)10-13)17-8-6-12-7-9-18-11-12/h3-5,10,12,15,17H,2,6-9,11H2,1H3
InChIKeyBYRZRKZELDKIKO-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.92
Rot. Bonds6

About 1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine

1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 113424548) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID113424548
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCC(NCCC1CCOC1)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-2-15(13-4-3-5-14(16)10-13)17-8-6-12-7-9-18-11-12/h3-5,10,12,15,17H,2,6-9,11H2,1H3
InChIKeyBYRZRKZELDKIKO-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 113478752
3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 106704300
2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 55036296
N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine
CID 62110909
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
1-(3,4-dimethylphenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424522
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
1-(3-bromophenyl)-N-(2-ethylsulfinylethyl)propan-1-amine
CID 115718977

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine (CID 113424548) is 1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine is CCC(NCCC1CCOC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is BYRZRKZELDKIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-15(13-4-3-5-14(16)10-13)17-8-6-12-7-9-18-11-12/h3-5,10,12,15,17H,2,6-9,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine?
1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 113424548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).