N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine

C26H30N2 — CID 122227712

IUPACN-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CN(Cc2ccccc2)Cc2ccccc2)c(N2CCCC2)c1
InChIInChI=1S/C26H30N2/c1-22-14-15-25(26(18-22)28-16-8-9-17-28)21-27(19-23-10-4-2-5-11-23)20-24-12-6-3-7-13-24/h2-7,10-15,18H,8-9,16-17,19-21H2,1H3
InChIKeyBDGGZBIXHLIMOR-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.80
Rot. Bonds7

About N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine

N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine (PubChem CID 122227712) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine
PubChem CID122227712
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC NameN-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CN(Cc2ccccc2)Cc2ccccc2)c(N2CCCC2)c1
InChIInChI=1S/C26H30N2/c1-22-14-15-25(26(18-22)28-16-8-9-17-28)21-27(19-23-10-4-2-5-11-23)20-24-12-6-3-7-13-24/h2-7,10-15,18H,8-9,16-17,19-21H2,1H3
InChIKeyBDGGZBIXHLIMOR-UHFFFAOYSA-N
XLogP5.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine (CID 122227712) is N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine is Cc1ccc(CN(Cc2ccccc2)Cc2ccccc2)c(N2CCCC2)c1.
What is the InChIKey of N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine?
The InChIKey is BDGGZBIXHLIMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2/c1-22-14-15-25(26(18-22)28-16-8-9-17-28)21-27(19-23-10-4-2-5-11-23)20-24-12-6-3-7-13-24/h2-7,10-15,18H,8-9,16-17,19-21H2,1H3.
What are the key properties of N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine?
N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine has a molecular weight of 370.54 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 122227712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).