2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C17H23ClN2O — CID 114853355

IUPAC2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESOC1CCC2CN(c3cc(Cl)ccc3CNC3CC3)CC12
InChIInChI=1S/C17H23ClN2O/c18-13-3-1-11(8-19-14-4-5-14)16(7-13)20-9-12-2-6-17(21)15(12)10-20/h1,3,7,12,14-15,17,19,21H,2,4-6,8-10H2
InChIKeyYFCIVOKNWSKYBR-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.80
Rot. Bonds4

About 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 114853355) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID114853355
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESOC1CCC2CN(c3cc(Cl)ccc3CNC3CC3)CC12
InChIInChI=1S/C17H23ClN2O/c18-13-3-1-11(8-19-14-4-5-14)16(7-13)20-9-12-2-6-17(21)15(12)10-20/h1,3,7,12,14-15,17,19,21H,2,4-6,8-10H2
InChIKeyYFCIVOKNWSKYBR-UHFFFAOYSA-N
XLogP2.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol with MolForge

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Related Compounds

2-[5-chloro-2-(methylaminomethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114853359
N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114847342
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854553
1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine
CID 114852089
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]pyrrolidine-3,4-diol
CID 106670521
1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol
CID 114853985
N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
CID 114854335
N-[[4-chloro-2-(3-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848287
1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 114853729
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 115560640

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 114853355) is 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is OC1CCC2CN(c3cc(Cl)ccc3CNC3CC3)CC12.
What is the InChIKey of 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is YFCIVOKNWSKYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-13-3-1-11(8-19-14-4-5-14)16(7-13)20-9-12-2-6-17(21)15(12)10-20/h1,3,7,12,14-15,17,19,21H,2,4-6,8-10H2.
What are the key properties of 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 306.84 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 114853355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).