1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C16H26ClN3O — CID 66052930

IUPAC1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCC(N)c1ccccc1Cl
InChIInChI=1S/C16H26ClN3O/c1-19(2)10-12-9-13(21)11-20(12)8-7-16(18)14-5-3-4-6-15(14)17/h3-6,12-13,16,21H,7-11,18H2,1-2H3
InChIKeyCTYLGQAANFGLHZ-UHFFFAOYSA-N
MW311.86 g/mol
LogP1.73
Rot. Bonds6

About 1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66052930) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66052930
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCC(N)c1ccccc1Cl
InChIInChI=1S/C16H26ClN3O/c1-19(2)10-12-9-13(21)11-20(12)8-7-16(18)14-5-3-4-6-15(14)17/h3-6,12-13,16,21H,7-11,18H2,1-2H3
InChIKeyCTYLGQAANFGLHZ-UHFFFAOYSA-N
XLogP1.73
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053507
1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053197
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
CID 62888334
1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054390
1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596708
1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62644751
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 66053792
5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 66051669
1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056573
1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 104643439
5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol
CID 77111542

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66052930) is 1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CCC(N)c1ccccc1Cl.
What is the InChIKey of 1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is CTYLGQAANFGLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-19(2)10-12-9-13(21)11-20(12)8-7-16(18)14-5-3-4-6-15(14)17/h3-6,12-13,16,21H,7-11,18H2,1-2H3.
What are the key properties of 1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 311.86 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66052930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).