N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine

C25H25N3 — CID 3385173

IUPACN-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
SMILESc1ccc(CCN(Cc2ccccc2)Cc2cccn2-c2cccnc2)cc1
InChIInChI=1S/C25H25N3/c1-3-9-22(10-4-1)15-18-27(20-23-11-5-2-6-12-23)21-25-14-8-17-28(25)24-13-7-16-26-19-24/h1-14,16-17,19H,15,18,20-21H2
InChIKeyQBXHXGDZTBIYMH-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.12
Rot. Bonds8

About N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine

N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine (PubChem CID 3385173) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
PubChem CID3385173
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC NameN-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
SMILESc1ccc(CCN(Cc2ccccc2)Cc2cccn2-c2cccnc2)cc1
InChIInChI=1S/C25H25N3/c1-3-9-22(10-4-1)15-18-27(20-23-11-5-2-6-12-23)21-25-14-8-17-28(25)24-13-7-16-26-19-24/h1-14,16-17,19H,15,18,20-21H2
InChIKeyQBXHXGDZTBIYMH-UHFFFAOYSA-N
XLogP5.12
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 4277529
2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
CID 46981781
N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46953713
N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine
CID 46962079
4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 91784965
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
4-[2-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrol-1-yl]benzonitrile
CID 3429748
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
CID 163873740
2-[benzyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60649363
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine (CID 3385173) is N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine is c1ccc(CCN(Cc2ccccc2)Cc2cccn2-c2cccnc2)cc1.
What is the InChIKey of N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is QBXHXGDZTBIYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-3-9-22(10-4-1)15-18-27(20-23-11-5-2-6-12-23)21-25-14-8-17-28(25)24-13-7-16-26-19-24/h1-14,16-17,19H,15,18,20-21H2.
What are the key properties of N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 367.50 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 3385173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).