N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine

C16H27NO — CID 62718997

IUPACN-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
SMILESCOCCNCC(Cc1ccccc1C)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(12-17-9-10-18-4)11-15-8-6-5-7-14(15)3/h5-8,13,16-17H,9-12H2,1-4H3
InChIKeyHATQTLOBPUVUJB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.05
Rot. Bonds8

About N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine

N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine (PubChem CID 62718997) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
PubChem CID62718997
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
SMILESCOCCNCC(Cc1ccccc1C)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(12-17-9-10-18-4)11-15-8-6-5-7-14(15)3/h5-8,13,16-17H,9-12H2,1-4H3
InChIKeyHATQTLOBPUVUJB-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.05
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

N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529551
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62718818
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62720263
1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476755
5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
1-[2-(chloromethyl)-3-methylbutyl]-2-methylbenzene
CID 66036572
2-methoxy-N-[[2-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809190
N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64773550
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 66365008
2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530358

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine (CID 62718997) is N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine is COCCNCC(Cc1ccccc1C)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine?
The InChIKey is HATQTLOBPUVUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)16(12-17-9-10-18-4)11-15-8-6-5-7-14(15)3/h5-8,13,16-17H,9-12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine?
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62718997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).