N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine

C27H35N3 — CID 3387137

IUPACN-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(CN(CCN2CCCC2)Cc2cccn2Cc2ccccc2C)cc1
InChIInChI=1S/C27H35N3/c1-23-11-13-25(14-12-23)20-29(19-18-28-15-5-6-16-28)22-27-10-7-17-30(27)21-26-9-4-3-8-24(26)2/h3-4,7-14,17H,5-6,15-16,18-22H2,1-2H3
InChIKeyRZYUSIZIMZIIRX-UHFFFAOYSA-N
MW401.60 g/mol
LogP5.25
Rot. Bonds9

About N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine

N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 3387137) has the molecular formula C27H35N3 and a molecular weight of 401.60 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID3387137
Molecular FormulaC27H35N3
Molecular Weight401.60 g/mol
Exact Mass401.28
IUPAC NameN-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(CN(CCN2CCCC2)Cc2cccn2Cc2ccccc2C)cc1
InChIInChI=1S/C27H35N3/c1-23-11-13-25(14-12-23)20-29(19-18-28-15-5-6-16-28)22-27-10-7-17-30(27)21-26-9-4-3-8-24(26)2/h3-4,7-14,17H,5-6,15-16,18-22H2,1-2H3
InChIKeyRZYUSIZIMZIIRX-UHFFFAOYSA-N
XLogP5.25
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.60
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Triprolidine Hydrochloride Anhydrous
CID 5702129
Triprolidine hydrochloride monohydrate
CID 5284472
Dimetindene, (R)-
CID 12963076
(+)-Dimethindene
CID 6604866
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
N-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-4-(1-naphthylmethyl)-1-piperazinamine
CID 6886669
6,7-Diphenyl-2,3-dihydro-1H-pyrrolizine
CID 155766
5-(1-Methyl-pyrrolidin-2-yl)-2-phenethyl-pyridine
CID 11644688
benzyl(methyl)[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 11806071

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine (CID 3387137) is N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine is Cc1ccc(CN(CCN2CCCC2)Cc2cccn2Cc2ccccc2C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is RZYUSIZIMZIIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3/c1-23-11-13-25(14-12-23)20-29(19-18-28-15-5-6-16-28)22-27-10-7-17-30(27)21-26-9-4-3-8-24(26)2/h3-4,7-14,17H,5-6,15-16,18-22H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine?
N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 401.60 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 3387137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).