N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine

C18H31NO2 — CID 62717677

IUPACN-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
SMILESCOCCNCC(Cc1cc(C)ccc1OC)CC(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)10-16(13-19-8-9-20-4)12-17-11-15(3)6-7-18(17)21-5/h6-7,11,14,16,19H,8-10,12-13H2,1-5H3
InChIKeyXDLDEZNPDKKKLE-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.44
Rot. Bonds10

About N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine

N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine (PubChem CID 62717677) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
PubChem CID62717677
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
SMILESCOCCNCC(Cc1cc(C)ccc1OC)CC(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)10-16(13-19-8-9-20-4)12-17-11-15(3)6-7-18(17)21-5/h6-7,11,14,16,19H,8-10,12-13H2,1-5H3
InChIKeyXDLDEZNPDKKKLE-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.44
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-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene
CID 66035867
N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63507800
2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63496934
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 55111296
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115984227
2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498326
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62725841
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine (CID 62717677) is N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine is COCCNCC(Cc1cc(C)ccc1OC)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine?
The InChIKey is XDLDEZNPDKKKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)10-16(13-19-8-9-20-4)12-17-11-15(3)6-7-18(17)21-5/h6-7,11,14,16,19H,8-10,12-13H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine?
N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 62717677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).