2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol

C14H24N2O2 — CID 80734602

IUPAC2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
SMILESCC(C)Oc1cc(N)cc(NC(CO)C(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-9(2)14(8-17)16-12-5-11(15)6-13(7-12)18-10(3)4/h5-7,9-10,14,16-17H,8,15H2,1-4H3
InChIKeyXBZLXONTJPQKIA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.48
Rot. Bonds6

About 2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol

2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol (PubChem CID 80734602) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
PubChem CID80734602
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
SMILESCC(C)Oc1cc(N)cc(NC(CO)C(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-9(2)14(8-17)16-12-5-11(15)6-13(7-12)18-10(3)4/h5-7,9-10,14,16-17H,8,15H2,1-4H3
InChIKeyXBZLXONTJPQKIA-UHFFFAOYSA-N
XLogP2.48
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.48
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

3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740319
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80735464
3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 113498930
3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723309
2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol
CID 80739762
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739717
3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol
CID 106183454
N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide
CID 80730929
2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol
CID 106890570
3-N-(2-bromophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723056

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol?
The IUPAC name of 2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol (CID 80734602) is 2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol is CC(C)Oc1cc(N)cc(NC(CO)C(C)C)c1.
What is the InChIKey of 2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol?
The InChIKey is XBZLXONTJPQKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)14(8-17)16-12-5-11(15)6-13(7-12)18-10(3)4/h5-7,9-10,14,16-17H,8,15H2,1-4H3.
What are the key properties of 2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol?
2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 80734602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).