2-[1-(methylamino)propyl]phenol

C10H15NO — CID 12862798

IUPAC2-[1-(methylamino)propyl]phenol
SMILESCCC(NC)c1ccccc1O
InChIInChI=1S/C10H15NO/c1-3-9(11-2)8-6-4-5-7-10(8)12/h4-7,9,11-12H,3H2,1-2H3
InChIKeyPAHGUWJPXBRRKU-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.06
Rot. Bonds3

About 2-[1-(methylamino)propyl]phenol

2-[1-(methylamino)propyl]phenol (PubChem CID 12862798) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[1-(methylamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(methylamino)propyl]phenol
PubChem CID12862798
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[1-(methylamino)propyl]phenol
SMILESCCC(NC)c1ccccc1O
InChIInChI=1S/C10H15NO/c1-3-9(11-2)8-6-4-5-7-10(8)12/h4-7,9,11-12H,3H2,1-2H3
InChIKeyPAHGUWJPXBRRKU-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(methoxyamino)propyl]phenol
CID 82706320
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 43545377
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol
CID 99632914
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
2-[1-(pent-1-yn-3-ylamino)propyl]phenol
CID 106225526
2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol
CID 43731141
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)propyl]phenol?
The IUPAC name of 2-[1-(methylamino)propyl]phenol (CID 12862798) is 2-[1-(methylamino)propyl]phenol.
What is the SMILES notation for 2-[1-(methylamino)propyl]phenol?
The canonical SMILES for 2-[1-(methylamino)propyl]phenol is CCC(NC)c1ccccc1O.
What is the InChIKey of 2-[1-(methylamino)propyl]phenol?
The InChIKey is PAHGUWJPXBRRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-9(11-2)8-6-4-5-7-10(8)12/h4-7,9,11-12H,3H2,1-2H3.
What are the key properties of 2-[1-(methylamino)propyl]phenol?
2-[1-(methylamino)propyl]phenol has a molecular weight of 165.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)propyl]phenol is sourced from PubChem (CID 12862798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).