1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol

C21H29ClN2O3 — CID 3682063

IUPAC1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
SMILESCOc1ccc(C(CNCC(O)COCc2ccc(Cl)cc2)N(C)C)cc1
InChIInChI=1S/C21H29ClN2O3/c1-24(2)21(17-6-10-20(26-3)11-7-17)13-23-12-19(25)15-27-14-16-4-8-18(22)9-5-16/h4-11,19,21,23,25H,12-15H2,1-3H3
InChIKeyNBTWCWFQAXSVPD-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.12
Rot. Bonds11

About 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol (PubChem CID 3682063) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
PubChem CID3682063
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
SMILESCOc1ccc(C(CNCC(O)COCc2ccc(Cl)cc2)N(C)C)cc1
InChIInChI=1S/C21H29ClN2O3/c1-24(2)21(17-6-10-20(26-3)11-7-17)13-23-12-19(25)15-27-14-16-4-8-18(22)9-5-16/h4-11,19,21,23,25H,12-15H2,1-3H3
InChIKeyNBTWCWFQAXSVPD-UHFFFAOYSA-N
XLogP3.12
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-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-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
[(1R)-2-[[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]azaniumyl]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2102563
3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174960
(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977014
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
1-[(4-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398482
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
N-[2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909199
1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
CID 82942338
2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
CID 61464816
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol (CID 3682063) is 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol is COc1ccc(C(CNCC(O)COCc2ccc(Cl)cc2)N(C)C)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol?
The InChIKey is NBTWCWFQAXSVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O3/c1-24(2)21(17-6-10-20(26-3)11-7-17)13-23-12-19(25)15-27-14-16-4-8-18(22)9-5-16/h4-11,19,21,23,25H,12-15H2,1-3H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol has a molecular weight of 392.93 g/mol, XLogP of 3.12, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 3682063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).