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

C14H22ClN3O — CID 66054390

IUPAC1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1cccc(Cl)c1CN
InChIInChI=1S/C14H22ClN3O/c1-17(2)8-10-6-11(19)9-18(10)14-5-3-4-13(15)12(14)7-16/h3-5,10-11,19H,6-9,16H2,1-2H3
InChIKeyBDTOHQSXNLBDAI-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.30
Rot. Bonds4

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

1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66054390) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66054390
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1cccc(Cl)c1CN
InChIInChI=1S/C14H22ClN3O/c1-17(2)8-10-6-11(19)9-18(10)14-5-3-4-13(15)12(14)7-16/h3-5,10-11,19H,6-9,16H2,1-2H3
InChIKeyBDTOHQSXNLBDAI-UHFFFAOYSA-N
XLogP1.30
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)-2-bromophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82793756
5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 66056615
5-[(dimethylamino)methyl]-1-[2-(1-hydroxypropyl)phenyl]pyrrolidin-3-ol
CID 115996022
4-chloro-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77111677
1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054592
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053197
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-fluorobenzenecarboximidamide
CID 66055813
1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 79026695
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]benzonitrile
CID 102816732
1-[3-(aminomethyl)-5-bromophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 102814107
5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 66052213

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66054390) is 1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1cccc(Cl)c1CN.
What is the InChIKey of 1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is BDTOHQSXNLBDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-17(2)8-10-6-11(19)9-18(10)14-5-3-4-13(15)12(14)7-16/h3-5,10-11,19H,6-9,16H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 283.80 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-chlorophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66054390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).