4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol

C15H26N2O2 — CID 79359732

IUPAC4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol
SMILESCOc1ccccc1N(CCCN)CCC(C)(C)O
InChIInChI=1S/C15H26N2O2/c1-15(2,18)9-12-17(11-6-10-16)13-7-4-5-8-14(13)19-3/h4-5,7-8,18H,6,9-12,16H2,1-3H3
InChIKeyVLICYGWCOGWARW-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.01
Rot. Bonds8

About 4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol

4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol (PubChem CID 79359732) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol
PubChem CID79359732
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol
SMILESCOc1ccccc1N(CCCN)CCC(C)(C)O
InChIInChI=1S/C15H26N2O2/c1-15(2,18)9-12-17(11-6-10-16)13-7-4-5-8-14(13)19-3/h4-5,7-8,18H,6,9-12,16H2,1-3H3
InChIKeyVLICYGWCOGWARW-UHFFFAOYSA-N
XLogP2.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 61481368
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
CID 79359729
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
CID 59373144
N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 28770871
N'-(3,3-dimethylbutyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 54958186
N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159037
N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262674
N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide
CID 28767707
1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea
CID 79160382

Frequently Asked Questions

What is the IUPAC name of 4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol?
The IUPAC name of 4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol (CID 79359732) is 4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol is COc1ccccc1N(CCCN)CCC(C)(C)O.
What is the InChIKey of 4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol?
The InChIKey is VLICYGWCOGWARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,18)9-12-17(11-6-10-16)13-7-4-5-8-14(13)19-3/h4-5,7-8,18H,6,9-12,16H2,1-3H3.
What are the key properties of 4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol?
4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol is sourced from PubChem (CID 79359732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).