(2-amino-4-propan-2-yloxyphenyl)methanediol

C10H15NO3 — CID 142498218

IUPAC(2-amino-4-propan-2-yloxyphenyl)methanediol
SMILESCC(C)Oc1ccc(C(O)O)c(N)c1
InChIInChI=1S/C10H15NO3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,10,12-13H,11H2,1-2H3
InChIKeyLXKBFXYDOWDLRF-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.04
Rot. Bonds3

About (2-amino-4-propan-2-yloxyphenyl)methanediol

(2-amino-4-propan-2-yloxyphenyl)methanediol (PubChem CID 142498218) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2-amino-4-propan-2-yloxyphenyl)methanediol.

Molecular Properties

Compound Name(2-amino-4-propan-2-yloxyphenyl)methanediol
PubChem CID142498218
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2-amino-4-propan-2-yloxyphenyl)methanediol
SMILESCC(C)Oc1ccc(C(O)O)c(N)c1
InChIInChI=1S/C10H15NO3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,10,12-13H,11H2,1-2H3
InChIKeyLXKBFXYDOWDLRF-UHFFFAOYSA-N
XLogP1.04
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,5-di(propan-2-yloxy)aniline
CID 18997718
2-chloro-5-propan-2-yloxyaniline
CID 39237829
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
2-chloro-4-propan-2-yloxyaniline
CID 62113434
(2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol
CID 82684354
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol
CID 82263737
(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine
CID 130673474
2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene
CID 130848311
3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868281
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
2-(1-iodoethyl)-5-methoxyaniline
CID 170370937

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-propan-2-yloxyphenyl)methanediol?
The IUPAC name of (2-amino-4-propan-2-yloxyphenyl)methanediol (CID 142498218) is (2-amino-4-propan-2-yloxyphenyl)methanediol.
What is the SMILES notation for (2-amino-4-propan-2-yloxyphenyl)methanediol?
The canonical SMILES for (2-amino-4-propan-2-yloxyphenyl)methanediol is CC(C)Oc1ccc(C(O)O)c(N)c1.
What is the InChIKey of (2-amino-4-propan-2-yloxyphenyl)methanediol?
The InChIKey is LXKBFXYDOWDLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,10,12-13H,11H2,1-2H3.
What are the key properties of (2-amino-4-propan-2-yloxyphenyl)methanediol?
(2-amino-4-propan-2-yloxyphenyl)methanediol has a molecular weight of 197.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-propan-2-yloxyphenyl)methanediol is sourced from PubChem (CID 142498218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).