N-ethoxy-1-(3-ethoxyphenyl)methanamine

C11H17NO2 — CID 82709882

IUPACN-ethoxy-1-(3-ethoxyphenyl)methanamine
SMILESCCONCc1cccc(OCC)c1
InChIInChI=1S/C11H17NO2/c1-3-13-11-7-5-6-10(8-11)9-12-14-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyWANYDWWHVUNBIL-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.13
Rot. Bonds6

About N-ethoxy-1-(3-ethoxyphenyl)methanamine

N-ethoxy-1-(3-ethoxyphenyl)methanamine (PubChem CID 82709882) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-ethoxy-1-(3-ethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(3-ethoxyphenyl)methanamine
PubChem CID82709882
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-ethoxy-1-(3-ethoxyphenyl)methanamine
SMILESCCONCc1cccc(OCC)c1
InChIInChI=1S/C11H17NO2/c1-3-13-11-7-5-6-10(8-11)9-12-14-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyWANYDWWHVUNBIL-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708969
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18437826
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
(3-ethoxyphenyl)methanethiol
CID 79885244
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
N-ethoxy-1-naphthalen-2-ylmethanamine
CID 53308535

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(3-ethoxyphenyl)methanamine?
The IUPAC name of N-ethoxy-1-(3-ethoxyphenyl)methanamine (CID 82709882) is N-ethoxy-1-(3-ethoxyphenyl)methanamine.
What is the SMILES notation for N-ethoxy-1-(3-ethoxyphenyl)methanamine?
The canonical SMILES for N-ethoxy-1-(3-ethoxyphenyl)methanamine is CCONCc1cccc(OCC)c1.
What is the InChIKey of N-ethoxy-1-(3-ethoxyphenyl)methanamine?
The InChIKey is WANYDWWHVUNBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-13-11-7-5-6-10(8-11)9-12-14-4-2/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of N-ethoxy-1-(3-ethoxyphenyl)methanamine?
N-ethoxy-1-(3-ethoxyphenyl)methanamine has a molecular weight of 195.26 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(3-ethoxyphenyl)methanamine is sourced from PubChem (CID 82709882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).