N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine

C18H20N2O — CID 53274315

IUPACN-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C18H20N2O/c1-21-17-6-3-14(4-7-17)8-10-19-13-15-2-5-16-9-11-20-18(16)12-15/h2-7,9,11-12,19-20H,8,10,13H2,1H3
InChIKeyNUWUYLPHOGEENC-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.51
Rot. Bonds6

About N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine

N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 53274315) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID53274315
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C18H20N2O/c1-21-17-6-3-14(4-7-17)8-10-19-13-15-2-5-16-9-11-20-18(16)12-15/h2-7,9,11-12,19-20H,8,10,13H2,1H3
InChIKeyNUWUYLPHOGEENC-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 102911336
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine
CID 102909982
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 106168823
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 2249781
N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 102909156
N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102911084
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine (CID 53274315) is N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCc2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is NUWUYLPHOGEENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-21-17-6-3-14(4-7-17)8-10-19-13-15-2-5-16-9-11-20-18(16)12-15/h2-7,9,11-12,19-20H,8,10,13H2,1H3.
What are the key properties of N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 53274315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).