4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol

C12H17BrN2O — CID 63702636

IUPAC4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
SMILESCN(Cc1cccc(Br)c1)C1CNCC1O
InChIInChI=1S/C12H17BrN2O/c1-15(11-6-14-7-12(11)16)8-9-3-2-4-10(13)5-9/h2-5,11-12,14,16H,6-8H2,1H3
InChIKeyHNIVUZOTKVWVPF-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.21
Rot. Bonds3

About 4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol

4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol (PubChem CID 63702636) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
PubChem CID63702636
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
SMILESCN(Cc1cccc(Br)c1)C1CNCC1O
InChIInChI=1S/C12H17BrN2O/c1-15(11-6-14-7-12(11)16)8-9-3-2-4-10(13)5-9/h2-5,11-12,14,16H,6-8H2,1H3
InChIKeyHNIVUZOTKVWVPF-UHFFFAOYSA-N
XLogP1.21
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
CID 63716370
2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid
CID 63072969
4-[furan-3-ylmethyl(methyl)amino]pyrrolidin-3-ol
CID 63702901
3-[(3-bromophenyl)methyl]azetidine;hydrochloride
CID 137347061
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127
N-[(3-bromophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999899
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one
CID 62035173
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200199

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol?
The IUPAC name of 4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol (CID 63702636) is 4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol?
The canonical SMILES for 4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol is CN(Cc1cccc(Br)c1)C1CNCC1O.
What is the InChIKey of 4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol?
The InChIKey is HNIVUZOTKVWVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-15(11-6-14-7-12(11)16)8-9-3-2-4-10(13)5-9/h2-5,11-12,14,16H,6-8H2,1H3.
What are the key properties of 4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol?
4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol has a molecular weight of 285.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol is sourced from PubChem (CID 63702636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).