3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol

C14H24N2O2 — CID 114152908

IUPAC3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
SMILESCCOc1cc(NC(C)(CC)CCO)ccc1N
InChIInChI=1S/C14H24N2O2/c1-4-14(3,8-9-17)16-11-6-7-12(15)13(10-11)18-5-2/h6-7,10,16-17H,4-5,8-9,15H2,1-3H3
InChIKeyVWNYUFOACFCTLA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.63
Rot. Bonds7

About 3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol

3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol (PubChem CID 114152908) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
PubChem CID114152908
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
SMILESCCOc1cc(NC(C)(CC)CCO)ccc1N
InChIInChI=1S/C14H24N2O2/c1-4-14(3,8-9-17)16-11-6-7-12(15)13(10-11)18-5-2/h6-7,10,16-17H,4-5,8-9,15H2,1-3H3
InChIKeyVWNYUFOACFCTLA-UHFFFAOYSA-N
XLogP2.63
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.63
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-propan-2-yloxyanilino)-3-methylpentan-1-ol
CID 106167028
2-(4-amino-3-ethoxyanilino)-2-ethylpropane-1,3-diol
CID 107864632
4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
CID 114174133
3-(3-aminoanilino)-3-methylpentan-1-ol
CID 106167043
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol
CID 106348438
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol
CID 106166911
3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol
CID 106167096
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
3-methyl-3-(4-nitro-3-propoxyanilino)pentan-1-ol
CID 106171225
1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141886

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol?
The IUPAC name of 3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol (CID 114152908) is 3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol is CCOc1cc(NC(C)(CC)CCO)ccc1N.
What is the InChIKey of 3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol?
The InChIKey is VWNYUFOACFCTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-14(3,8-9-17)16-11-6-7-12(15)13(10-11)18-5-2/h6-7,10,16-17H,4-5,8-9,15H2,1-3H3.
What are the key properties of 3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol?
3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.63, 7 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)-3-methylpentan-1-ol is sourced from PubChem (CID 114152908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).