3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol

C15H26N2O2 — CID 106348438

IUPAC3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol
SMILESCCOc1cc(NC(CCO)C(C)(C)C)ccc1N
InChIInChI=1S/C15H26N2O2/c1-5-19-13-10-11(6-7-12(13)16)17-14(8-9-18)15(2,3)4/h6-7,10,14,17-18H,5,8-9,16H2,1-4H3
InChIKeyKTABAZUPFJPAKK-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.88
Rot. Bonds6

About 3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol

3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol (PubChem CID 106348438) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol
PubChem CID106348438
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol
SMILESCCOc1cc(NC(CCO)C(C)(C)C)ccc1N
InChIInChI=1S/C15H26N2O2/c1-5-19-13-10-11(6-7-12(13)16)17-14(8-9-18)15(2,3)4/h6-7,10,14,17-18H,5,8-9,16H2,1-4H3
InChIKeyKTABAZUPFJPAKK-UHFFFAOYSA-N
XLogP2.88
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.88
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-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
1-(4-amino-3-ethoxyanilino)pentan-2-ol
CID 113495527
2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol
CID 63677132
2-(4-amino-3-ethoxyanilino)-2-ethylpropane-1,3-diol
CID 107864632
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671320
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141886
2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
CID 55232564
3-(2-aminoanilino)-4,4-dimethylpentan-1-ol
CID 106348387

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol (CID 106348438) is 3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol is CCOc1cc(NC(CCO)C(C)(C)C)ccc1N.
What is the InChIKey of 3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol?
The InChIKey is KTABAZUPFJPAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-19-13-10-11(6-7-12(13)16)17-14(8-9-18)15(2,3)4/h6-7,10,14,17-18H,5,8-9,16H2,1-4H3.
What are the key properties of 3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol?
3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106348438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).