2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline

C14H24N2O — CID 61425653

IUPAC2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline
SMILESCOc1ccc(CN(C)CCC(C)C)cc1N
InChIInChI=1S/C14H24N2O/c1-11(2)7-8-16(3)10-12-5-6-14(17-4)13(15)9-12/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeyMWOCYMYZVOZBHX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.76
Rot. Bonds6

About 2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline

2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline (PubChem CID 61425653) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline
PubChem CID61425653
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline
SMILESCOc1ccc(CN(C)CCC(C)C)cc1N
InChIInChI=1S/C14H24N2O/c1-11(2)7-8-16(3)10-12-5-6-14(17-4)13(15)9-12/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeyMWOCYMYZVOZBHX-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 62333055
2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61429364
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383
1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411
2-[(3-amino-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 54995973
5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methoxyaniline
CID 61415802
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 63272706
N-[(3-amino-4-methoxyphenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55259376
5-[[N-[(3-amino-4-methoxyphenyl)methyl]-4-fluoroanilino]methyl]-2-methoxyaniline
CID 59540456

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline?
The IUPAC name of 2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline (CID 61425653) is 2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline.
What is the SMILES notation for 2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline?
The canonical SMILES for 2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline is COc1ccc(CN(C)CCC(C)C)cc1N.
What is the InChIKey of 2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline?
The InChIKey is MWOCYMYZVOZBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)7-8-16(3)10-12-5-6-14(17-4)13(15)9-12/h5-6,9,11H,7-8,10,15H2,1-4H3.
What are the key properties of 2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline?
2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline is sourced from PubChem (CID 61425653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).