4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C16H20Cl2N2OS — CID 120962948

IUPAC4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C16H19ClN2OS.ClH/c17-14-4-2-1-3-13(14)16-6-5-12(21-16)9-18-7-11-8-19-10-15(11)20;/h1-6,11,15,18-20H,7-10H2;1H
InChIKeyKLFPAOZWOYDSHK-UHFFFAOYSA-N
MW359.32 g/mol
LogP3.16
Rot. Bonds5

About 4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962948) has the molecular formula C16H20Cl2N2OS and a molecular weight of 359.32 g/mol. Its IUPAC name is 4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962948
Molecular FormulaC16H20Cl2N2OS
Molecular Weight359.32 g/mol
Exact Mass358.07
IUPAC Name4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C16H19ClN2OS.ClH/c17-14-4-2-1-3-13(14)16-6-5-12(21-16)9-18-7-11-8-19-10-15(11)20;/h1-6,11,15,18-20H,7-10H2;1H
InChIKeyKLFPAOZWOYDSHK-UHFFFAOYSA-N
XLogP3.16
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962467
4-[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509769
4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]oxan-4-ol
CID 110935700
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
2-(bromomethyl)-5-(2-chlorophenyl)thiophene
CID 67396627
4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962338
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 120948034
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid
CID 84756419
4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963038
4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962200

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962948) is 4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNCC1CNCc1ccc(-c2ccccc2Cl)s1.
What is the InChIKey of 4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is KLFPAOZWOYDSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS.ClH/c17-14-4-2-1-3-13(14)16-6-5-12(21-16)9-18-7-11-8-19-10-15(11)20;/h1-6,11,15,18-20H,7-10H2;1H.
What are the key properties of 4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 359.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).