2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride

C16H24Cl2N2O — CID 120903950

IUPAC2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
SMILESCC1(CN2CCOC(c3cccc(Cl)c3)C2)CCNC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-16(5-6-18-11-16)12-19-7-8-20-15(10-19)13-3-2-4-14(17)9-13;/h2-4,9,15,18H,5-8,10-12H2,1H3;1H
InChIKeyKYIKGKVCNRWMBQ-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.13
Rot. Bonds3

About 2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride

2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride (PubChem CID 120903950) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
PubChem CID120903950
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
SMILESCC1(CN2CCOC(c3cccc(Cl)c3)C2)CCNC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-16(5-6-18-11-16)12-19-7-8-20-15(10-19)13-3-2-4-14(17)9-13;/h2-4,9,15,18H,5-8,10-12H2,1H3;1H
InChIKeyKYIKGKVCNRWMBQ-UHFFFAOYSA-N
XLogP3.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride (CID 120903950) is 2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride is CC1(CN2CCOC(c3cccc(Cl)c3)C2)CCNC1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride?
The InChIKey is KYIKGKVCNRWMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-16(5-6-18-11-16)12-19-7-8-20-15(10-19)13-3-2-4-14(17)9-13;/h2-4,9,15,18H,5-8,10-12H2,1H3;1H.
What are the key properties of 2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride?
2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 120903950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).