2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine

C16H27NO — CID 62718496

IUPAC2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CNCCOC)Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO/c1-5-15(12-17-6-7-18-4)11-16-9-13(2)8-14(3)10-16/h8-10,15,17H,5-7,11-12H2,1-4H3
InChIKeyFLEIJCCKTCRSFA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.11
Rot. Bonds8

About 2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine

2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 62718496) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
PubChem CID62718496
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CNCCOC)Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO/c1-5-15(12-17-6-7-18-4)11-16-9-13(2)8-14(3)10-16/h8-10,15,17H,5-7,11-12H2,1-4H3
InChIKeyFLEIJCCKTCRSFA-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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

2-[(4-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 107897425
2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 62718173
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63507800
2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 113361832
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047
4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
CID 82930758
N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63523301
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-[(4-chlorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984648
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine (CID 62718496) is 2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine is CCC(CNCCOC)Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is FLEIJCCKTCRSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-15(12-17-6-7-18-4)11-16-9-13(2)8-14(3)10-16/h8-10,15,17H,5-7,11-12H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine?
2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 62718496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).