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

C14H19ClN2O — CID 62943203

IUPAC1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cccc(Cl)c2CNC2CC2)C1
InChIInChI=1S/C14H19ClN2O/c15-13-2-1-3-14(17-7-6-11(18)9-17)12(13)8-16-10-4-5-10/h1-3,10-11,16,18H,4-9H2
InChIKeyAFHYXYXRUFXFCF-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.16
Rot. Bonds4

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

1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol (PubChem CID 62943203) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
PubChem CID62943203
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cccc(Cl)c2CNC2CC2)C1
InChIInChI=1S/C14H19ClN2O/c15-13-2-1-3-14(17-7-6-11(18)9-17)12(13)8-16-10-4-5-10/h1-3,10-11,16,18H,4-9H2
InChIKeyAFHYXYXRUFXFCF-UHFFFAOYSA-N
XLogP2.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
CID 62943201
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283
N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961261
N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961538
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63635865
1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol
CID 61434347
N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine
CID 43281017
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[[2-chloro-6-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62489663
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
1-[3-bromo-4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 114060813

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol (CID 62943203) is 1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol is OC1CCN(c2cccc(Cl)c2CNC2CC2)C1.
What is the InChIKey of 1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol?
The InChIKey is AFHYXYXRUFXFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13-2-1-3-14(17-7-6-11(18)9-17)12(13)8-16-10-4-5-10/h1-3,10-11,16,18H,4-9H2.
What are the key properties of 1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol?
1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol has a molecular weight of 266.77 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).