1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol

C17H21NO2 — CID 115995973

IUPAC1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)c1ccccc1OC
InChIInChI=1S/C17H21NO2/c1-4-16(19)13-9-5-6-10-14(13)18(2)15-11-7-8-12-17(15)20-3/h5-12,16,19H,4H2,1-3H3
InChIKeyGTNYQKKECGJPII-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol

1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol (PubChem CID 115995973) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
PubChem CID115995973
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)c1ccccc1OC
InChIInChI=1S/C17H21NO2/c1-4-16(19)13-9-5-6-10-14(13)18(2)15-11-7-8-12-17(15)20-3/h5-12,16,19H,4H2,1-3H3
InChIKeyGTNYQKKECGJPII-UHFFFAOYSA-N
XLogP3.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
(1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol
CID 103960038
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959837
1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol
CID 62911327

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol (CID 115995973) is 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol is CCC(O)c1ccccc1N(C)c1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol?
The InChIKey is GTNYQKKECGJPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-16(19)13-9-5-6-10-14(13)18(2)15-11-7-8-12-17(15)20-3/h5-12,16,19H,4H2,1-3H3.
What are the key properties of 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol?
1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol is sourced from PubChem (CID 115995973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).