1-amino-2-[3-(methylamino)phenoxy]ethanol

C9H14N2O2 — CID 66691374

IUPAC1-amino-2-[3-(methylamino)phenoxy]ethanol
SMILESCNc1cccc(OCC(N)O)c1
InChIInChI=1S/C9H14N2O2/c1-11-7-3-2-4-8(5-7)13-6-9(10)12/h2-5,9,11-12H,6,10H2,1H3
InChIKeyHSRNYASRVCGKHB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.38
Rot. Bonds4

About 1-amino-2-[3-(methylamino)phenoxy]ethanol

1-amino-2-[3-(methylamino)phenoxy]ethanol (PubChem CID 66691374) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-amino-2-[3-(methylamino)phenoxy]ethanol.

Molecular Properties

Compound Name1-amino-2-[3-(methylamino)phenoxy]ethanol
PubChem CID66691374
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-amino-2-[3-(methylamino)phenoxy]ethanol
SMILESCNc1cccc(OCC(N)O)c1
InChIInChI=1S/C9H14N2O2/c1-11-7-3-2-4-8(5-7)13-6-9(10)12/h2-5,9,11-12H,6,10H2,1H3
InChIKeyHSRNYASRVCGKHB-UHFFFAOYSA-N
XLogP0.38
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-methyl-3-pent-3-enoxyaniline
CID 68734106
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
3-hex-4-ynoxy-N-methylaniline
CID 68734426
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[3-(methylamino)phenoxy]ethanol?
The IUPAC name of 1-amino-2-[3-(methylamino)phenoxy]ethanol (CID 66691374) is 1-amino-2-[3-(methylamino)phenoxy]ethanol.
What is the SMILES notation for 1-amino-2-[3-(methylamino)phenoxy]ethanol?
The canonical SMILES for 1-amino-2-[3-(methylamino)phenoxy]ethanol is CNc1cccc(OCC(N)O)c1.
What is the InChIKey of 1-amino-2-[3-(methylamino)phenoxy]ethanol?
The InChIKey is HSRNYASRVCGKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-7-3-2-4-8(5-7)13-6-9(10)12/h2-5,9,11-12H,6,10H2,1H3.
What are the key properties of 1-amino-2-[3-(methylamino)phenoxy]ethanol?
1-amino-2-[3-(methylamino)phenoxy]ethanol has a molecular weight of 182.22 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[3-(methylamino)phenoxy]ethanol is sourced from PubChem (CID 66691374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).