1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol

C12H17ClN2O — CID 62943201

IUPAC1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
SMILESCNCc1c(Cl)cccc1N1CCC(O)C1
InChIInChI=1S/C12H17ClN2O/c1-14-7-10-11(13)3-2-4-12(10)15-6-5-9(16)8-15/h2-4,9,14,16H,5-8H2,1H3
InChIKeyHASXQXDTAFHBLK-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.63
Rot. Bonds3

About 1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol

1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol (PubChem CID 62943201) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
PubChem CID62943201
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
SMILESCNCc1c(Cl)cccc1N1CCC(O)C1
InChIInChI=1S/C12H17ClN2O/c1-14-7-10-11(13)3-2-4-12(10)15-6-5-9(16)8-15/h2-4,9,14,16H,5-8H2,1H3
InChIKeyHASXQXDTAFHBLK-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943203
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 61445796
1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43280415
1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine
CID 43281436
1-[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62973443
1-[2-chloro-6-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43585488
1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine
CID 43281338
1-[2-chloro-4-(ethylaminomethyl)phenyl]pyrrolidin-3-ol
CID 81148887
1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
CID 62967711
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]-N-methylmethanamine
CID 102727313

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol (CID 62943201) is 1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol is CNCc1c(Cl)cccc1N1CCC(O)C1.
What is the InChIKey of 1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is HASXQXDTAFHBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-14-7-10-11(13)3-2-4-12(10)15-6-5-9(16)8-15/h2-4,9,14,16H,5-8H2,1H3.
What are the key properties of 1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol?
1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 240.73 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).