2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine

C15H22BrNO — CID 116523793

IUPAC2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
SMILESCC1(C)CCC(CC(CN)c2ccccc2Br)O1
InChIInChI=1S/C15H22BrNO/c1-15(2)8-7-12(18-15)9-11(10-17)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyGOHXNECVBZPYMZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.84
Rot. Bonds4

About 2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine

2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine (PubChem CID 116523793) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
PubChem CID116523793
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
SMILESCC1(C)CCC(CC(CN)c2ccccc2Br)O1
InChIInChI=1S/C15H22BrNO/c1-15(2)8-7-12(18-15)9-11(10-17)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyGOHXNECVBZPYMZ-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane
CID 116525249
2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
CID 116523527
5-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,2-dimethyloxolane
CID 116525349
2-(2-bromophenyl)pentan-1-amine
CID 79449309
2-[3-bromo-2-(2-bromophenyl)propyl]oxolane
CID 79454797
5-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-2,2-dimethyloxolane
CID 116525233
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943
1-(2-chlorophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 116521330
2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-6-fluoroaniline
CID 107599198
1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544846
2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol
CID 116523197
3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
CID 66478493

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine (CID 116523793) is 2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine is CC1(C)CCC(CC(CN)c2ccccc2Br)O1.
What is the InChIKey of 2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine?
The InChIKey is GOHXNECVBZPYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-15(2)8-7-12(18-15)9-11(10-17)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10,17H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine?
2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine is sourced from PubChem (CID 116523793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).