N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine

C18H19NO2 — CID 29276863

IUPACN-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2cc3ccccc3o2)cc1
InChIInChI=1S/C18H19NO2/c1-20-16-8-6-14(7-9-16)10-11-19-13-17-12-15-4-2-3-5-18(15)21-17/h2-9,12,19H,10-11,13H2,1H3
InChIKeyNUGBUQMYCKXPRB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.77
Rot. Bonds6

About N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine

N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 29276863) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID29276863
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2cc3ccccc3o2)cc1
InChIInChI=1S/C18H19NO2/c1-20-16-8-6-14(7-9-16)10-11-19-13-17-12-15-4-2-3-5-18(15)21-17/h2-9,12,19H,10-11,13H2,1H3
InChIKeyNUGBUQMYCKXPRB-UHFFFAOYSA-N
XLogP3.77
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
CID 28619697
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121020618
5-[[2-(4-methoxyphenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103232742
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 119104185
N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 28615423
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 132523349
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 115699157

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine (CID 29276863) is N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCc2cc3ccccc3o2)cc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is NUGBUQMYCKXPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-16-8-6-14(7-9-16)10-11-19-13-17-12-15-4-2-3-5-18(15)21-17/h2-9,12,19H,10-11,13H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 29276863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).