2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline

C12H21N3O — CID 167071943

IUPAC2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline
SMILESCOc1cccc(N(N)C(C)C(C)C)c1N
InChIInChI=1S/C12H21N3O/c1-8(2)9(3)15(14)10-6-5-7-11(16-4)12(10)13/h5-9H,13-14H2,1-4H3
InChIKeyNVQAZFMOCKWQSY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds4

About 2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline

2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline (PubChem CID 167071943) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline.

Molecular Properties

Compound Name2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline
PubChem CID167071943
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline
SMILESCOc1cccc(N(N)C(C)C(C)C)c1N
InChIInChI=1S/C12H21N3O/c1-8(2)9(3)15(14)10-6-5-7-11(16-4)12(10)13/h5-9H,13-14H2,1-4H3
InChIKeyNVQAZFMOCKWQSY-UHFFFAOYSA-N
XLogP2.00
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol
CID 104551156
2,6-dimethoxyaniline;ethane
CID 145233133
1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 113392602
2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 81420291
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine
CID 113392522
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
azane;1,2-dimethoxybenzene
CID 174437926
2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline
CID 67894523
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 104816241

Frequently Asked Questions

What is the IUPAC name of 2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline?
The IUPAC name of 2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline (CID 167071943) is 2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline.
What is the SMILES notation for 2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline?
The canonical SMILES for 2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline is COc1cccc(N(N)C(C)C(C)C)c1N.
What is the InChIKey of 2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline?
The InChIKey is NVQAZFMOCKWQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)9(3)15(14)10-6-5-7-11(16-4)12(10)13/h5-9H,13-14H2,1-4H3.
What are the key properties of 2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline?
2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline has a molecular weight of 223.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline is sourced from PubChem (CID 167071943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).