2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline

C15H26N2O — CID 83988070

IUPAC2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline
SMILESCC(C)COc1ccc(N)c(C(N)CC(C)C)c1
InChIInChI=1S/C15H26N2O/c1-10(2)7-15(17)13-8-12(5-6-14(13)16)18-9-11(3)4/h5-6,8,10-11,15H,7,9,16-17H2,1-4H3
InChIKeyRGGQCIVVNUGRJY-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.35
Rot. Bonds6

About 2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline

2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline (PubChem CID 83988070) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline
PubChem CID83988070
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline
SMILESCC(C)COc1ccc(N)c(C(N)CC(C)C)c1
InChIInChI=1S/C15H26N2O/c1-10(2)7-15(17)13-8-12(5-6-14(13)16)18-9-11(3)4/h5-6,8,10-11,15H,7,9,16-17H2,1-4H3
InChIKeyRGGQCIVVNUGRJY-UHFFFAOYSA-N
XLogP3.35
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.35
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

2-(1-amino-3-methylbutyl)-4-(trifluoromethoxy)aniline
CID 83988086
1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine
CID 83988813
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753
1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine
CID 83988832
4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline
CID 155818639
2-[2-(1-carboxy-3-methylbutyl)-4-(2-methylpropoxy)phenyl]-4-methylpentanoic acid
CID 150500133
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82551989
[2-amino-5-(2-methylpropoxy)phenyl]-methoxy-oxoazanium;ethane
CID 142213140
(1R)-1-(2-fluoro-5-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209640
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
4-(2-methylpropoxy)-2-morpholin-4-ylaniline
CID 139208837
5-(2-methylpropoxy)-2-benzofuran-1,3-dione
CID 139672228

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline?
The IUPAC name of 2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline (CID 83988070) is 2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline is CC(C)COc1ccc(N)c(C(N)CC(C)C)c1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline?
The InChIKey is RGGQCIVVNUGRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2)7-15(17)13-8-12(5-6-14(13)16)18-9-11(3)4/h5-6,8,10-11,15H,7,9,16-17H2,1-4H3.
What are the key properties of 2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline?
2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline has a molecular weight of 250.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline is sourced from PubChem (CID 83988070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).