2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol

C14H24N2O2 — CID 106251525

IUPAC2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cccc(OC)c1N
InChIInChI=1S/C14H24N2O2/c1-4-14(5-2,10-17)9-16-11-7-6-8-12(18-3)13(11)15/h6-8,16-17H,4-5,9-10,15H2,1-3H3
InChIKeySMWYHXKXNGKAAZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.49
Rot. Bonds7

About 2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol

2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol (PubChem CID 106251525) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
PubChem CID106251525
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cccc(OC)c1N
InChIInChI=1S/C14H24N2O2/c1-4-14(5-2,10-17)9-16-11-7-6-8-12(18-3)13(11)15/h6-8,16-17H,4-5,9-10,15H2,1-3H3
InChIKeySMWYHXKXNGKAAZ-UHFFFAOYSA-N
XLogP2.49
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
2-[(2-amino-3-methylsulfonylanilino)methyl]-2-ethylbutan-1-ol
CID 106251375
3-methoxy-1-N-(3-methylpentan-3-yl)benzene-1,2-diamine
CID 106328150
2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251260
2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol
CID 81400610
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
CID 81412848
2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 103412147
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate
CID 81412796
5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
CID 106154653
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-methoxybenzonitrile
CID 104848351
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
CID 113392574

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol (CID 106251525) is 2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1cccc(OC)c1N.
What is the InChIKey of 2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol?
The InChIKey is SMWYHXKXNGKAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-14(5-2,10-17)9-16-11-7-6-8-12(18-3)13(11)15/h6-8,16-17H,4-5,9-10,15H2,1-3H3.
What are the key properties of 2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol?
2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106251525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).