N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine

C20H22N2O — CID 46990657

IUPACN-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccccc1CN(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C20H22N2O/c1-23-20-5-3-2-4-17(20)14-22(18-7-8-18)13-15-6-9-19-16(12-15)10-11-21-19/h2-6,9-12,18,21H,7-8,13-14H2,1H3
InChIKeyYPIGRFRHOILKCB-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.34
Rot. Bonds6

About N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine

N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine (PubChem CID 46990657) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
PubChem CID46990657
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccccc1CN(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C20H22N2O/c1-23-20-5-3-2-4-17(20)14-22(18-7-8-18)13-15-6-9-19-16(12-15)10-11-21-19/h2-6,9-12,18,21H,7-8,13-14H2,1H3
InChIKeyYPIGRFRHOILKCB-UHFFFAOYSA-N
XLogP4.34
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
CID 39313525
N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 56919076
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
CID 39348998
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884
N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine
CID 91834255
N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 124758127
N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine
CID 71891918
N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 46986465
2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 66726497
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120898289

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine (CID 46990657) is N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine is COc1ccccc1CN(Cc1ccc2[nH]ccc2c1)C1CC1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine?
The InChIKey is YPIGRFRHOILKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-23-20-5-3-2-4-17(20)14-22(18-7-8-18)13-15-6-9-19-16(12-15)10-11-21-19/h2-6,9-12,18,21H,7-8,13-14H2,1H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine?
N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine has a molecular weight of 306.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 46990657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).