2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine

C14H23NO2 — CID 78910468

IUPAC2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine
SMILESCCOC(CNCC1=CC=C(C=C1)C)OCC
InChIInChI=1S/C14H23NO2/c1-4-16-14(17-5-2)11-15-10-13-8-6-12(3)7-9-13/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyUVDSEJWRPATZLX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.30
Rot. Bonds8

About 2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine

2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 78910468) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID78910468
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine
SMILESCCOC(CNCC1=CC=C(C=C1)C)OCC
InChIInChI=1S/C14H23NO2/c1-4-16-14(17-5-2)11-15-10-13-8-6-12(3)7-9-13/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyUVDSEJWRPATZLX-UHFFFAOYSA-N
XLogP2.30
TPSA30.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity173

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Benzylamino)acetaldehyde diethyl acetal
CID 521961
Benzyl(2-methoxyethyl)amine
CID 2396989
N-Benzylglycine ethyl ester
CID 80908
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
8-[[4-(1-Oxa-4,8,12-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,12-triazacyclotetradecane
CID 478461
N-(4-isopropylbenzyl)-2-methoxyethanamine hydrochloride
CID 6463016
N-Benzyl-2,2-dimethoxyethan-1-amine
CID 276572
US10543207, Example 206
CID 67457449
Ethyl 2-(((4-methylphenyl)methyl)amino)acetate hydrochloride
CID 24195402
N-(2-fluorobenzyl)-2-methoxyethanamine
CID 3931060
[(4-Ethylphenyl)methyl](2-methoxyethyl)amine hydrochloride
CID 17295529
Benzyl[2-(2-methoxyethoxy)ethyl]amine
CID 23009185

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine (CID 78910468) is 2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine is CCOC(CNCC1=CC=C(C=C1)C)OCC.
What is the InChIKey of 2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is UVDSEJWRPATZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-16-14(17-5-2)11-15-10-13-8-6-12(3)7-9-13/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine?
2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 78910468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).