1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol

C17H20ClNO2 — CID 62623125

IUPAC1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1ccc(N(C)CCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO2/c1-19(15-6-8-16(21-2)9-7-15)11-10-17(20)13-4-3-5-14(18)12-13/h3-9,12,17,20H,10-11H2,1-2H3
InChIKeyLFOQASADJIPUHW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.91
Rot. Bonds6

About 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol

1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol (PubChem CID 62623125) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
PubChem CID62623125
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1ccc(N(C)CCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO2/c1-19(15-6-8-16(21-2)9-7-15)11-10-17(20)13-4-3-5-14(18)12-13/h3-9,12,17,20H,10-11H2,1-2H3
InChIKeyLFOQASADJIPUHW-UHFFFAOYSA-N
XLogP3.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)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

1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62630981
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498
1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63487553
1-(3-chlorophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489443
3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570751
4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol
CID 62630754
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82073662
1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol (CID 62623125) is 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol is COc1ccc(N(C)CCC(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol?
The InChIKey is LFOQASADJIPUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-19(15-6-8-16(21-2)9-7-15)11-10-17(20)13-4-3-5-14(18)12-13/h3-9,12,17,20H,10-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol?
1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol has a molecular weight of 305.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol is sourced from PubChem (CID 62623125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).