1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol

C13H22N2O2 — CID 80735376

IUPAC1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
SMILESCCCOc1cc(N)cc(NCC(C)(C)O)c1
InChIInChI=1S/C13H22N2O2/c1-4-5-17-12-7-10(14)6-11(8-12)15-9-13(2,3)16/h6-8,15-16H,4-5,9,14H2,1-3H3
InChIKeyBUJUHJFGOGMWRS-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.24
Rot. Bonds6

About 1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol

1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol (PubChem CID 80735376) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
PubChem CID80735376
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
SMILESCCCOc1cc(N)cc(NCC(C)(C)O)c1
InChIInChI=1S/C13H22N2O2/c1-4-5-17-12-7-10(14)6-11(8-12)15-9-13(2,3)16/h6-8,15-16H,4-5,9,14H2,1-3H3
InChIKeyBUJUHJFGOGMWRS-UHFFFAOYSA-N
XLogP2.24
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.24
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-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide
CID 106275272
3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 114940615
1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
5-propoxy-3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142729
5-propoxy-3-N-(3,3,3-trifluoropropyl)benzene-1,3-diamine
CID 80734994
3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
CID 80721832
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
5-(3-amino-5-propoxyanilino)pentan-2-ol
CID 106119873
3-N-[(3,4-difluorophenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80738657
3-N-(3,5-dimethylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722258
3-N-[2-[di(propan-2-yl)amino]ethyl]-5-propoxybenzene-1,3-diamine
CID 80726917
3-N-[(3-methylcyclopentyl)methyl]-5-propoxybenzene-1,3-diamine
CID 107411332

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol (CID 80735376) is 1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol is CCCOc1cc(N)cc(NCC(C)(C)O)c1.
What is the InChIKey of 1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol?
The InChIKey is BUJUHJFGOGMWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-5-17-12-7-10(14)6-11(8-12)15-9-13(2,3)16/h6-8,15-16H,4-5,9,14H2,1-3H3.
What are the key properties of 1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol?
1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 80735376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).