1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine

C15H22BrNO — CID 116524948

IUPAC1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine
SMILESCC1(C)CCC(CC(N)Cc2ccc(Br)cc2)O1
InChIInChI=1S/C15H22BrNO/c1-15(2)8-7-14(18-15)10-13(17)9-11-3-5-12(16)6-4-11/h3-6,13-14H,7-10,17H2,1-2H3
InChIKeyGOXRHIBYTMXRNB-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine

1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine (PubChem CID 116524948) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine
PubChem CID116524948
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine
SMILESCC1(C)CCC(CC(N)Cc2ccc(Br)cc2)O1
InChIInChI=1S/C15H22BrNO/c1-15(2)8-7-14(18-15)10-13(17)9-11-3-5-12(16)6-4-11/h3-6,13-14H,7-10,17H2,1-2H3
InChIKeyGOXRHIBYTMXRNB-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
CID 116523527
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943
5-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-2,2-dimethyloxolane
CID 116525233
2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(4-methylphenyl)propanoic acid
CID 116522786
1-[3-bromo-4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 116523117
2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
CID 116523793
(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340
1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine
CID 102901771
1-(4-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62606824
5-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-2,2-dimethyloxolane
CID 116525234
[4-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenyl]methanamine
CID 116524182
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 116523943

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine (CID 116524948) is 1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine is CC1(C)CCC(CC(N)Cc2ccc(Br)cc2)O1.
What is the InChIKey of 1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine?
The InChIKey is GOXRHIBYTMXRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-15(2)8-7-14(18-15)10-13(17)9-11-3-5-12(16)6-4-11/h3-6,13-14H,7-10,17H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine?
1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine has a molecular weight of 312.25 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine is sourced from PubChem (CID 116524948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).