2-(butylaminomethyl)-5-methoxyaniline

C12H20N2O — CID 115413844

IUPAC2-(butylaminomethyl)-5-methoxyaniline
SMILESCCCCNCc1ccc(OC)cc1N
InChIInChI=1S/C12H20N2O/c1-3-4-7-14-9-10-5-6-11(15-2)8-12(10)13/h5-6,8,14H,3-4,7,9,13H2,1-2H3
InChIKeyKMJBBBOBSWUVDY-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.17
Rot. Bonds6

About 2-(butylaminomethyl)-5-methoxyaniline

2-(butylaminomethyl)-5-methoxyaniline (PubChem CID 115413844) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(butylaminomethyl)-5-methoxyaniline.

Molecular Properties

Compound Name2-(butylaminomethyl)-5-methoxyaniline
PubChem CID115413844
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-(butylaminomethyl)-5-methoxyaniline
SMILESCCCCNCc1ccc(OC)cc1N
InChIInChI=1S/C12H20N2O/c1-3-4-7-14-9-10-5-6-11(15-2)8-12(10)13/h5-6,8,14H,3-4,7,9,13H2,1-2H3
InChIKeyKMJBBBOBSWUVDY-UHFFFAOYSA-N
XLogP2.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline
CID 115413846
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 113305341
5-methoxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 106052573
N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine
CID 82449750
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
2-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]-5-methoxyaniline
CID 115414202
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958

Frequently Asked Questions

What is the IUPAC name of 2-(butylaminomethyl)-5-methoxyaniline?
The IUPAC name of 2-(butylaminomethyl)-5-methoxyaniline (CID 115413844) is 2-(butylaminomethyl)-5-methoxyaniline.
What is the SMILES notation for 2-(butylaminomethyl)-5-methoxyaniline?
The canonical SMILES for 2-(butylaminomethyl)-5-methoxyaniline is CCCCNCc1ccc(OC)cc1N.
What is the InChIKey of 2-(butylaminomethyl)-5-methoxyaniline?
The InChIKey is KMJBBBOBSWUVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-7-14-9-10-5-6-11(15-2)8-12(10)13/h5-6,8,14H,3-4,7,9,13H2,1-2H3.
What are the key properties of 2-(butylaminomethyl)-5-methoxyaniline?
2-(butylaminomethyl)-5-methoxyaniline has a molecular weight of 208.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylaminomethyl)-5-methoxyaniline is sourced from PubChem (CID 115413844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).