4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine

C18H31NO2 — CID 62516101

IUPAC4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine
SMILESCCOCCC(CNCC(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H31NO2/c1-5-21-11-10-17(14-19-13-15(2)3)12-16-6-8-18(20-4)9-7-16/h6-9,15,17,19H,5,10-14H2,1-4H3
InChIKeyNVEAOVIVQDGVIR-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.53
Rot. Bonds11

About 4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine

4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine (PubChem CID 62516101) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine
PubChem CID62516101
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine
SMILESCCOCCC(CNCC(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H31NO2/c1-5-21-11-10-17(14-19-13-15(2)3)12-16-6-8-18(20-4)9-7-16/h6-9,15,17,19H,5,10-14H2,1-4H3
InChIKeyNVEAOVIVQDGVIR-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.53
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

2-[(4-bromophenyl)methyl]-4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 62516439
4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol
CID 66058011
2-[(4-methoxyphenyl)methyl]-4-propoxy-N-propylbutan-1-amine
CID 106456658
2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521367
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
CID 62718541
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
2-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107897183
4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919
2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216
5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 62514571
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 106456671

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine (CID 62516101) is 4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine is CCOCCC(CNCC(C)C)Cc1ccc(OC)cc1.
What is the InChIKey of 4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is NVEAOVIVQDGVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-21-11-10-17(14-19-13-15(2)3)12-16-6-8-18(20-4)9-7-16/h6-9,15,17,19H,5,10-14H2,1-4H3.
What are the key properties of 4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62516101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).