3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol

C15H26N2O2 — CID 83002102

IUPAC3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol
SMILESCC(C)Oc1cc(N(CCCO)C(C)C)ccc1N
InChIInChI=1S/C15H26N2O2/c1-11(2)17(8-5-9-18)13-6-7-14(16)15(10-13)19-12(3)4/h6-7,10-12,18H,5,8-9,16H2,1-4H3
InChIKeyZAIZNAPSUNASMH-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.65
Rot. Bonds7

About 3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol

3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol (PubChem CID 83002102) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol
PubChem CID83002102
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol
SMILESCC(C)Oc1cc(N(CCCO)C(C)C)ccc1N
InChIInChI=1S/C15H26N2O2/c1-11(2)17(8-5-9-18)13-6-7-14(16)15(10-13)19-12(3)4/h6-7,10-12,18H,5,8-9,16H2,1-4H3
InChIKeyZAIZNAPSUNASMH-UHFFFAOYSA-N
XLogP2.65
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine
CID 103187566
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002388
4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002018
3-[4-(hydroxymethyl)-3-methyl-N-propan-2-ylanilino]propan-1-ol
CID 62135214
1-[2-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]phenyl]ethanone
CID 79600216
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670
4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002795
4-amino-3-propan-2-yloxyphenol
CID 69025591
3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61145734
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115473977
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol?
The IUPAC name of 3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol (CID 83002102) is 3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol.
What is the SMILES notation for 3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol?
The canonical SMILES for 3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol is CC(C)Oc1cc(N(CCCO)C(C)C)ccc1N.
What is the InChIKey of 3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol?
The InChIKey is ZAIZNAPSUNASMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)17(8-5-9-18)13-6-7-14(16)15(10-13)19-12(3)4/h6-7,10-12,18H,5,8-9,16H2,1-4H3.
What are the key properties of 3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol?
3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol is sourced from PubChem (CID 83002102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).