4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C12H18Cl2N2O — CID 120962488

IUPAC4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O.ClH/c13-11-3-1-2-9(4-11)5-14-6-10-7-15-8-12(10)16;/h1-4,10,12,14-16H,5-8H2;1H
InChIKeyNMJDMQFMSAJCGE-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.43
Rot. Bonds4

About 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962488) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962488
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O.ClH/c13-11-3-1-2-9(4-11)5-14-6-10-7-15-8-12(10)16;/h1-4,10,12,14-16H,5-8H2;1H
InChIKeyNMJDMQFMSAJCGE-UHFFFAOYSA-N
XLogP1.43
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962314
3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride
CID 120961894
4-[[(3-nitrophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963132
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
(2R,3R,4S)-2-[[(3-chlorophenyl)methylamino]methyl]pyrrolidine-3,4-diol
CID 11097212
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol
CID 120962585
4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961872
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120962035
4-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963112

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962488) is 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNCC1CNCc1cccc(Cl)c1.
What is the InChIKey of 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is NMJDMQFMSAJCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c13-11-3-1-2-9(4-11)5-14-6-10-7-15-8-12(10)16;/h1-4,10,12,14-16H,5-8H2;1H.
What are the key properties of 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).