N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine

C18H31NO2 — CID 106456762

IUPACN-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
SMILESCCNCC(CCOCC(C)C)Cc1ccccc1OC
InChIInChI=1S/C18H31NO2/c1-5-19-13-16(10-11-21-14-15(2)3)12-17-8-6-7-9-18(17)20-4/h6-9,15-16,19H,5,10-14H2,1-4H3
InChIKeyYFGYKELELWCZLN-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.53
Rot. Bonds11

About N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine

N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine (PubChem CID 106456762) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
PubChem CID106456762
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
SMILESCCNCC(CCOCC(C)C)Cc1ccccc1OC
InChIInChI=1S/C18H31NO2/c1-5-19-13-16(10-11-21-14-15(2)3)12-17-8-6-7-9-18(17)20-4/h6-9,15-16,19H,5,10-14H2,1-4H3
InChIKeyYFGYKELELWCZLN-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

N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456726
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
2-[(2-bromophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456752
2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498326
N-ethyl-2-[(3-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456673
2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
CID 62516668
2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62528121
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 113453859
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
CID 103183382
1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 54609120
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
N-[[3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
The IUPAC name of N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine (CID 106456762) is N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine is CCNCC(CCOCC(C)C)Cc1ccccc1OC.
What is the InChIKey of N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
The InChIKey is YFGYKELELWCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-19-13-16(10-11-21-14-15(2)3)12-17-8-6-7-9-18(17)20-4/h6-9,15-16,19H,5,10-14H2,1-4H3.
What are the key properties of N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)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 N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine is sourced from PubChem (CID 106456762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).