1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine

C14H17NO2 — CID 795886

IUPAC1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
SMILESCCOc1ccccc1CNCc1ccco1
InChIInChI=1S/C14H17NO2/c1-2-16-14-8-4-3-6-12(14)10-15-11-13-7-5-9-17-13/h3-9,15H,2,10-11H2,1H3
InChIKeyCTXDDINRILVKNW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.97
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine

1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 795886) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
PubChem CID795886
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
SMILESCCOc1ccccc1CNCc1ccco1
InChIInChI=1S/C14H17NO2/c1-2-16-14-8-4-3-6-12(14)10-15-11-13-7-5-9-17-13/h3-9,15H,2,10-11H2,1H3
InChIKeyCTXDDINRILVKNW-UHFFFAOYSA-N
XLogP2.97
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
CID 54797970
1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 94074405
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809908
1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331629
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(furan-2-yl)methanamine
CID 4723209
3-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 78805596
N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54850096
1-[(2-ethoxyphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354768
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60744247
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine
CID 30044771
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine (CID 795886) is 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine is CCOc1ccccc1CNCc1ccco1.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is CTXDDINRILVKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-16-14-8-4-3-6-12(14)10-15-11-13-7-5-9-17-13/h3-9,15H,2,10-11H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 795886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).