3-(2-amino-2-methylpropyl)-4-methoxyaniline

C11H18N2O — CID 84665627

IUPAC3-(2-amino-2-methylpropyl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1CC(C)(C)N
InChIInChI=1S/C11H18N2O/c1-11(2,13)7-8-6-9(12)4-5-10(8)14-3/h4-6H,7,12-13H2,1-3H3
InChIKeyVFZMWQNALOOZOR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.56
Rot. Bonds3

About 3-(2-amino-2-methylpropyl)-4-methoxyaniline

3-(2-amino-2-methylpropyl)-4-methoxyaniline (PubChem CID 84665627) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-4-methoxyaniline
PubChem CID84665627
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(2-amino-2-methylpropyl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1CC(C)(C)N
InChIInChI=1S/C11H18N2O/c1-11(2,13)7-8-6-9(12)4-5-10(8)14-3/h4-6H,7,12-13H2,1-3H3
InChIKeyVFZMWQNALOOZOR-UHFFFAOYSA-N
XLogP1.56
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.56
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

3-(tert-butylsulfonylmethyl)-4-methoxyaniline
CID 43444347
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489
4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline
CID 43134642
4-methoxy-3-(3-methoxypropylsulfonylmethyl)aniline
CID 63855745
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-methoxyaniline
CID 102721686
N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
CID 142222409
1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117339388
4-methoxy-3-(prop-2-enoxymethyl)aniline
CID 53363952

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)-4-methoxyaniline?
The IUPAC name of 3-(2-amino-2-methylpropyl)-4-methoxyaniline (CID 84665627) is 3-(2-amino-2-methylpropyl)-4-methoxyaniline.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-4-methoxyaniline?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-4-methoxyaniline is COc1ccc(N)cc1CC(C)(C)N.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-4-methoxyaniline?
The InChIKey is VFZMWQNALOOZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,13)7-8-6-9(12)4-5-10(8)14-3/h4-6H,7,12-13H2,1-3H3.
What are the key properties of 3-(2-amino-2-methylpropyl)-4-methoxyaniline?
3-(2-amino-2-methylpropyl)-4-methoxyaniline has a molecular weight of 194.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-4-methoxyaniline is sourced from PubChem (CID 84665627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).