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

C16H24BrNO — CID 116523527

IUPAC2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
SMILESCC1(C)CCC(CC(CN)Cc2ccc(Br)cc2)O1
InChIInChI=1S/C16H24BrNO/c1-16(2)8-7-15(19-16)10-13(11-18)9-12-3-5-14(17)6-4-12/h3-6,13,15H,7-11,18H2,1-2H3
InChIKeyAJUQNDBSMWDFCH-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.91
Rot. Bonds5

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

2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine (PubChem CID 116523527) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
PubChem CID116523527
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
SMILESCC1(C)CCC(CC(CN)Cc2ccc(Br)cc2)O1
InChIInChI=1S/C16H24BrNO/c1-16(2)8-7-15(19-16)10-13(11-18)9-12-3-5-14(17)6-4-12/h3-6,13,15H,7-11,18H2,1-2H3
InChIKeyAJUQNDBSMWDFCH-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Bromophenyl)-3-methoxy-3-methylbutan-2-amine hydrochloride
CID 165951218
1-(3-Bromo-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 54971467
2-[(2-Bromophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55083483
1-(4-Bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 55095247
2-[(4-bromophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515575
2-[(4-bromophenyl)methyl]-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62516778
2-[(3-Bromophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530185
2-[(4-Bromophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530373
2-[(4-Bromophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62530579
1-(5-Bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600087
1-(2-Bromo-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600489
1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 62600561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine (CID 116523527) is 2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine is CC1(C)CCC(CC(CN)Cc2ccc(Br)cc2)O1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine?
The InChIKey is AJUQNDBSMWDFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-16(2)8-7-15(19-16)10-13(11-18)9-12-3-5-14(17)6-4-12/h3-6,13,15H,7-11,18H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine?
2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine is sourced from PubChem (CID 116523527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).