4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol

C13H19ClN2O — CID 120962643

IUPAC4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
SMILESCc1cc(CNCC2CNCC2O)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-9-4-10(2-3-12(9)14)5-15-6-11-7-16-8-13(11)17/h2-4,11,13,15-17H,5-8H2,1H3
InChIKeyDYRQZBZXFKPMTC-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.32
Rot. Bonds4

About 4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol

4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962643) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962643
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
SMILESCc1cc(CNCC2CNCC2O)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-9-4-10(2-3-12(9)14)5-15-6-11-7-16-8-13(11)17/h2-4,11,13,15-17H,5-8H2,1H3
InChIKeyDYRQZBZXFKPMTC-UHFFFAOYSA-N
XLogP1.32
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962692
N-[(4-chloro-3-methylphenyl)methyl]-1-(thietan-3-yl)methanamine
CID 165486662
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol
CID 120961737
4-[[(3-methyl-4-pyridin-3-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962532
4-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963112
4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962047
4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide
CID 120962997
4-[[(4-bromo-2-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962614

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol (CID 120962643) is 4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol is Cc1cc(CNCC2CNCC2O)ccc1Cl.
What is the InChIKey of 4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is DYRQZBZXFKPMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-4-10(2-3-12(9)14)5-15-6-11-7-16-8-13(11)17/h2-4,11,13,15-17H,5-8H2,1H3.
What are the key properties of 4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 254.76 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).