1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol

C15H21BrN2O — CID 103356996

IUPAC1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2cc(Br)ccc2CNC2CC2)C1
InChIInChI=1S/C15H21BrN2O/c1-15(19)6-7-18(10-15)14-8-12(16)3-2-11(14)9-17-13-4-5-13/h2-3,8,13,17,19H,4-7,9-10H2,1H3
InChIKeyQMGYQZOFHBPJCX-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.66
Rot. Bonds4

About 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol

1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol (PubChem CID 103356996) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
PubChem CID103356996
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2cc(Br)ccc2CNC2CC2)C1
InChIInChI=1S/C15H21BrN2O/c1-15(19)6-7-18(10-15)14-8-12(16)3-2-11(14)9-17-13-4-5-13/h2-3,8,13,17,19H,4-7,9-10H2,1H3
InChIKeyQMGYQZOFHBPJCX-UHFFFAOYSA-N
XLogP2.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586310
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686
N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
CID 170453756
N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535831
N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine
CID 62205571
N-[[4-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]cyclopropanamine
CID 64597589
N-[[4-bromo-2-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 55153715
4-bromo-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzaldehyde
CID 103356567
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81150118
N-[[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62487448
N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62930122
3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol
CID 103356921

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol (CID 103356996) is 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2cc(Br)ccc2CNC2CC2)C1.
What is the InChIKey of 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol?
The InChIKey is QMGYQZOFHBPJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-15(19)6-7-18(10-15)14-8-12(16)3-2-11(14)9-17-13-4-5-13/h2-3,8,13,17,19H,4-7,9-10H2,1H3.
What are the key properties of 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol?
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol has a molecular weight of 325.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103356996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).