4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride

C18H23ClN2 — CID 66866831

IUPAC4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride
SMILESCNc1ccc(C2(Cc3ccccc3)CCNC2)cc1.Cl
InChIInChI=1S/C18H22N2.ClH/c1-19-17-9-7-16(8-10-17)18(11-12-20-14-18)13-15-5-3-2-4-6-15;/h2-10,19-20H,11-14H2,1H3;1H
InChIKeyJWIKNYCPOSMYPD-UHFFFAOYSA-N
MW302.85 g/mol
LogP3.62
Rot. Bonds4

About 4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride

4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride (PubChem CID 66866831) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride.

Molecular Properties

Compound Name4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride
PubChem CID66866831
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride
SMILESCNc1ccc(C2(Cc3ccccc3)CCNC2)cc1.Cl
InChIInChI=1S/C18H22N2.ClH/c1-19-17-9-7-16(8-10-17)18(11-12-20-14-18)13-15-5-3-2-4-6-15;/h2-10,19-20H,11-14H2,1H3;1H
InChIKeyJWIKNYCPOSMYPD-UHFFFAOYSA-N
XLogP3.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride?
The IUPAC name of 4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride (CID 66866831) is 4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride.
What is the SMILES notation for 4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride?
The canonical SMILES for 4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride is CNc1ccc(C2(Cc3ccccc3)CCNC2)cc1.Cl.
What is the InChIKey of 4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride?
The InChIKey is JWIKNYCPOSMYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2.ClH/c1-19-17-9-7-16(8-10-17)18(11-12-20-14-18)13-15-5-3-2-4-6-15;/h2-10,19-20H,11-14H2,1H3;1H.
What are the key properties of 4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride?
4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride is sourced from PubChem (CID 66866831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).