N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

C24H28N2O2 — CID 42795161

IUPACN-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCOc1ccc(CN(Cc2cccn2Cc2cccc(OC)c2)C2CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-27-23-12-8-19(9-13-23)16-26(21-10-11-21)18-22-6-4-14-25(22)17-20-5-3-7-24(15-20)28-2/h3-9,12-15,21H,10-11,16-18H2,1-2H3
InChIKeyKPQQROTYHIVRMX-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.72
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 42795161) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID42795161
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCOc1ccc(CN(Cc2cccn2Cc2cccc(OC)c2)C2CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-27-23-12-8-19(9-13-23)16-26(21-10-11-21)18-22-6-4-14-25(22)17-20-5-3-7-24(15-20)28-2/h3-9,12-15,21H,10-11,16-18H2,1-2H3
InChIKeyKPQQROTYHIVRMX-UHFFFAOYSA-N
XLogP4.72
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

(2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol
CID 7249183
1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 42794956
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43460831
N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 42795101
2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 42663147
2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762993
N-benzyl-3-methoxy-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3975484
N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 42795125
N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 42762998
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylcyclobutanecarboxamide
CID 810263
N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
CID 7288626
(3S)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3,5,5-trimethylhexanamide
CID 7226409

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 42795161) is N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is COc1ccc(CN(Cc2cccn2Cc2cccc(OC)c2)C2CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is KPQQROTYHIVRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-27-23-12-8-19(9-13-23)16-26(21-10-11-21)18-22-6-4-14-25(22)17-20-5-3-7-24(15-20)28-2/h3-9,12-15,21H,10-11,16-18H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 376.50 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 42795161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).