1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

C15H23BrN2O2 — CID 75924267

IUPAC1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(Br)cc1CNCC(O)CN1CCCC1
InChIInChI=1S/C15H23BrN2O2/c1-20-15-5-4-13(16)8-12(15)9-17-10-14(19)11-18-6-2-3-7-18/h4-5,8,14,17,19H,2-3,6-7,9-11H2,1H3
InChIKeyJYHICGYXJYXIJL-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.00
Rot. Bonds7

About 1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 75924267) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID75924267
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(Br)cc1CNCC(O)CN1CCCC1
InChIInChI=1S/C15H23BrN2O2/c1-20-15-5-4-13(16)8-12(15)9-17-10-14(19)11-18-6-2-3-7-18/h4-5,8,14,17,19H,2-3,6-7,9-11H2,1H3
InChIKeyJYHICGYXJYXIJL-UHFFFAOYSA-N
XLogP2.00
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119237
5-[(5-bromo-2-methoxyphenyl)methylamino]-4-methylpentan-2-ol
CID 111448910
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
3-N-[(5-bromo-2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119678
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 166187432
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 60883674
3-[(5-bromo-2-methoxyphenyl)methylamino]-2-(methylamino)propanoic acid
CID 115256091
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60932132
1-amino-3-[2-(5-bromo-2-methoxyphenyl)ethylamino]propan-2-ol
CID 115121601

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 75924267) is 1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is COc1ccc(Br)cc1CNCC(O)CN1CCCC1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is JYHICGYXJYXIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-20-15-5-4-13(16)8-12(15)9-17-10-14(19)11-18-6-2-3-7-18/h4-5,8,14,17,19H,2-3,6-7,9-11H2,1H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 343.26 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 75924267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).