1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol

C15H23BrN2O — CID 60729373

IUPAC1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(NCC(O)CN1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-12(13-4-6-14(16)7-5-13)17-10-15(19)11-18-8-2-3-9-18/h4-7,12,15,17,19H,2-3,8-11H2,1H3
InChIKeyHJPVXHCBLSYPOA-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.56
Rot. Bonds6

About 1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 60729373) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID60729373
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(NCC(O)CN1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-12(13-4-6-14(16)7-5-13)17-10-15(19)11-18-8-2-3-9-18/h4-7,12,15,17,19H,2-3,8-11H2,1H3
InChIKeyHJPVXHCBLSYPOA-UHFFFAOYSA-N
XLogP2.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
1-[1-(4-bromophenyl)ethylamino]pentan-2-ol
CID 111755561
N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657866
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81360198
2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993891
1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81399781
1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 54917373
1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729320
1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 60729373) is 1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol is CC(NCC(O)CN1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is HJPVXHCBLSYPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12(13-4-6-14(16)7-5-13)17-10-15(19)11-18-8-2-3-9-18/h4-7,12,15,17,19H,2-3,8-11H2,1H3.
What are the key properties of 1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 327.27 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 60729373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).