N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride

C21H29ClN2 — CID 3072407

IUPACN-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride
SMILESCN(CCCc1ccccc1)CC1CCCN1c1ccccc1.Cl
InChIInChI=1S/C21H28N2.ClH/c1-22(16-8-12-19-10-4-2-5-11-19)18-21-15-9-17-23(21)20-13-6-3-7-14-20;/h2-7,10-11,13-14,21H,8-9,12,15-18H2,1H3;1H
InChIKeyCTSTVRFNDQGZQE-UHFFFAOYSA-N
MW344.93 g/mol
LogP4.64
Rot. Bonds7

About N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride

N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 3072407) has the molecular formula C21H29ClN2 and a molecular weight of 344.93 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride
PubChem CID3072407
Molecular FormulaC21H29ClN2
Molecular Weight344.93 g/mol
Exact Mass344.20
IUPAC NameN-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride
SMILESCN(CCCc1ccccc1)CC1CCCN1c1ccccc1.Cl
InChIInChI=1S/C21H28N2.ClH/c1-22(16-8-12-19-10-4-2-5-11-19)18-21-15-9-17-23(21)20-13-6-3-7-14-20;/h2-7,10-11,13-14,21H,8-9,12,15-18H2,1H3;1H
InChIKeyCTSTVRFNDQGZQE-UHFFFAOYSA-N
XLogP4.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.93
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride (CID 3072407) is N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride is CN(CCCc1ccccc1)CC1CCCN1c1ccccc1.Cl.
What is the InChIKey of N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is CTSTVRFNDQGZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2.ClH/c1-22(16-8-12-19-10-4-2-5-11-19)18-21-15-9-17-23(21)20-13-6-3-7-14-20;/h2-7,10-11,13-14,21H,8-9,12,15-18H2,1H3;1H.
What are the key properties of N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride?
N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 3072407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).