N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine

C18H31NO2 — CID 62718541

IUPACN-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
SMILESCOCCNCC(CCC(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H31NO2/c1-15(2)5-6-17(14-19-11-12-20-3)13-16-7-9-18(21-4)10-8-16/h7-10,15,17,19H,5-6,11-14H2,1-4H3
InChIKeyBLCGHWBWIXEOMF-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.53
Rot. Bonds11

About N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine

N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine (PubChem CID 62718541) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
PubChem CID62718541
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
SMILESCOCCNCC(CCC(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H31NO2/c1-15(2)5-6-17(14-19-11-12-20-3)13-16-7-9-18(21-4)10-8-16/h7-10,15,17,19H,5-6,11-14H2,1-4H3
InChIKeyBLCGHWBWIXEOMF-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-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62718638
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63503350
2-[(4-methoxyphenyl)methyl]-4-propoxy-N-propylbutan-1-amine
CID 106456658
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047
4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516101
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
CID 62516781
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-[(4-chlorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984648
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine (CID 62718541) is N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine is COCCNCC(CCC(C)C)Cc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine?
The InChIKey is BLCGHWBWIXEOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-15(2)5-6-17(14-19-11-12-20-3)13-16-7-9-18(21-4)10-8-16/h7-10,15,17,19H,5-6,11-14H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine?
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-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-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine is sourced from PubChem (CID 62718541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).