3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol

C10H16N2O — CID 137451033

IUPAC3-[2-[amino(methyl)amino]ethyl]-2-methylphenol
SMILESCC1=C(C=CC=C1O)CCN(C)N
InChIInChI=1S/C10H16N2O/c1-8-9(6-7-12(2)11)4-3-5-10(8)13/h3-5,13H,6-7,11H2,1-2H3
InChIKeyAMYANFIDVMMIHS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.50
Rot. Bonds3

About 3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol

3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol (PubChem CID 137451033) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[2-[amino(methyl)amino]ethyl]-2-methylphenol.

Molecular Properties

Compound Name3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol
PubChem CID137451033
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-[2-[amino(methyl)amino]ethyl]-2-methylphenol
SMILESCC1=C(C=CC=C1O)CCN(C)N
InChIInChI=1S/C10H16N2O/c1-8-9(6-7-12(2)11)4-3-5-10(8)13/h3-5,13H,6-7,11H2,1-2H3
InChIKeyAMYANFIDVMMIHS-UHFFFAOYSA-N
XLogP1.50
TPSA49.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity152

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Tapentadol
CID 9838022
(-)-3-Ppp
CID 5311189
5-OH-Dpat
CID 172267
3-(1-Propyl-pyrrolidin-3-yl)-phenol
CID 11074524
Preclamol, (A+-)-
CID 55445
(S)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol
CID 11299620
Bis[(dimethylamino)methyl]phenol
CID 3018067
3-Ethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ol
CID 10261961
3-Butyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ol
CID 10376148
3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydrobromide
CID 114876
4-Hydroxy-2-(di-n-propylamino)indan
CID 146855
(R)-preclamol
CID 202478

Frequently Asked Questions

What is the IUPAC name of 3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol?
The IUPAC name of 3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol (CID 137451033) is 3-[2-[amino(methyl)amino]ethyl]-2-methylphenol.
What is the SMILES notation for 3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol?
The canonical SMILES for 3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol is CC1=C(C=CC=C1O)CCN(C)N.
What is the InChIKey of 3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol?
The InChIKey is AMYANFIDVMMIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-9(6-7-12(2)11)4-3-5-10(8)13/h3-5,13H,6-7,11H2,1-2H3.
What are the key properties of 3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol?
3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol has a molecular weight of 180.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[Amino(methyl)amino]ethyl]-2-methylphenol is sourced from PubChem (CID 137451033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).