3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol

C18H24N2O — CID 43192320

IUPAC3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol
SMILESCC(NCCCN(C)c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C18H24N2O/c1-15(16-8-6-11-18(21)14-16)19-12-7-13-20(2)17-9-4-3-5-10-17/h3-6,8-11,14-15,19,21H,7,12-13H2,1-2H3
InChIKeyJNKBPFRFHMTHIW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.57
Rot. Bonds7

About 3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol

3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol (PubChem CID 43192320) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol
PubChem CID43192320
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol
SMILESCC(NCCCN(C)c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C18H24N2O/c1-15(16-8-6-11-18(21)14-16)19-12-7-13-20(2)17-9-4-3-5-10-17/h3-6,8-11,14-15,19,21H,7,12-13H2,1-2H3
InChIKeyJNKBPFRFHMTHIW-UHFFFAOYSA-N
XLogP3.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
CID 43207421
2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine
CID 103387090
3-[3-(N-methylanilino)propylamino]butanoic acid
CID 43536640
N',N'-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 103993772
3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
CID 43205609
3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
CID 43203138
N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 43192316
3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
CID 54951683
2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide
CID 43089243
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol?
The IUPAC name of 3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol (CID 43192320) is 3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol is CC(NCCCN(C)c1ccccc1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol?
The InChIKey is JNKBPFRFHMTHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15(16-8-6-11-18(21)14-16)19-12-7-13-20(2)17-9-4-3-5-10-17/h3-6,8-11,14-15,19,21H,7,12-13H2,1-2H3.
What are the key properties of 3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol?
3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol has a molecular weight of 284.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol is sourced from PubChem (CID 43192320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).