5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline

C15H26N2O — CID 114125893

IUPAC5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline
SMILESCOCCC(C)(C)CNCc1ccc(C)c(N)c1
InChIInChI=1S/C15H26N2O/c1-12-5-6-13(9-14(12)16)10-17-11-15(2,3)7-8-18-4/h5-6,9,17H,7-8,10-11,16H2,1-4H3
InChIKeyALYZZXXPKCGNGN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.73
Rot. Bonds7

About 5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline

5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline (PubChem CID 114125893) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline
PubChem CID114125893
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline
SMILESCOCCC(C)(C)CNCc1ccc(C)c(N)c1
InChIInChI=1S/C15H26N2O/c1-12-5-6-13(9-14(12)16)10-17-11-15(2,3)7-8-18-4/h5-6,9,17H,7-8,10-11,16H2,1-4H3
InChIKeyALYZZXXPKCGNGN-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625168
4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 104625005
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624967
N-[(2,6-dimethylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625041
4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 104625143
2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline
CID 114125884
N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104857055
N-[(2-bromo-4-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624998
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609
5-[(3-fluoro-4-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897533
N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 103527688
4-[(3,4-dimethylphenyl)methylamino]-3,3-dimethylbutanoic acid
CID 115220316

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline?
The IUPAC name of 5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline (CID 114125893) is 5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline.
What is the SMILES notation for 5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline?
The canonical SMILES for 5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline is COCCC(C)(C)CNCc1ccc(C)c(N)c1.
What is the InChIKey of 5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline?
The InChIKey is ALYZZXXPKCGNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-5-6-13(9-14(12)16)10-17-11-15(2,3)7-8-18-4/h5-6,9,17H,7-8,10-11,16H2,1-4H3.
What are the key properties of 5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline?
5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline is sourced from PubChem (CID 114125893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).