N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine

C19H33NO — CID 83148264

IUPACN-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
SMILESCOCCNCC(CCCC(C)C)Cc1ccccc1C
InChIInChI=1S/C19H33NO/c1-16(2)8-7-10-18(15-20-12-13-21-4)14-19-11-6-5-9-17(19)3/h5-6,9,11,16,18,20H,7-8,10,12-15H2,1-4H3
InChIKeyBVNOUENWQXZLLB-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.22
Rot. Bonds11

About N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine

N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine (PubChem CID 83148264) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
PubChem CID83148264
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
SMILESCOCCNCC(CCCC(C)C)Cc1ccccc1C
InChIInChI=1S/C19H33NO/c1-16(2)8-7-10-18(15-20-12-13-21-4)14-19-11-6-5-9-17(19)3/h5-6,9,11,16,18,20H,7-8,10,12-15H2,1-4H3
InChIKeyBVNOUENWQXZLLB-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
CID 62718997
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
CID 103183382
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
CID 62719056
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
CID 83148905

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine (CID 83148264) is N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine is COCCNCC(CCCC(C)C)Cc1ccccc1C.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine?
The InChIKey is BVNOUENWQXZLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-16(2)8-7-10-18(15-20-12-13-21-4)14-19-11-6-5-9-17(19)3/h5-6,9,11,16,18,20H,7-8,10,12-15H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine?
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine is sourced from PubChem (CID 83148264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).