N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline

C18H20N2O — CID 102847657

IUPACN-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCc1cccc2[nH]ccc12
InChIInChI=1S/C18H20N2O/c1-21-12-10-14-5-2-3-7-17(14)20-13-15-6-4-8-18-16(15)9-11-19-18/h2-9,11,19-20H,10,12-13H2,1H3
InChIKeyUVVXBWRRLDXIDJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.97
Rot. Bonds6

About N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline

N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline (PubChem CID 102847657) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
PubChem CID102847657
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCc1cccc2[nH]ccc12
InChIInChI=1S/C18H20N2O/c1-21-12-10-14-5-2-3-7-17(14)20-13-15-6-4-8-18-16(15)9-11-19-18/h2-9,11,19-20H,10,12-13H2,1H3
InChIKeyUVVXBWRRLDXIDJ-UHFFFAOYSA-N
XLogP3.97
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline
CID 62332420
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
N-(1H-indol-4-ylmethyl)-2-phenylsulfanylaniline
CID 17221081
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol
CID 111824960
N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline
CID 102905183
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline?
The IUPAC name of N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline (CID 102847657) is N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline is COCCc1ccccc1NCc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline?
The InChIKey is UVVXBWRRLDXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-21-12-10-14-5-2-3-7-17(14)20-13-15-6-4-8-18-16(15)9-11-19-18/h2-9,11,19-20H,10,12-13H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline?
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline has a molecular weight of 280.37 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102847657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).