1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol

C19H24ClNO3 — CID 78820773

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
SMILESCOc1ccc(Cl)cc1CN(C)CC(O)COc1ccc(C)cc1
InChIInChI=1S/C19H24ClNO3/c1-14-4-7-18(8-5-14)24-13-17(22)12-21(2)11-15-10-16(20)6-9-19(15)23-3/h4-10,17,22H,11-13H2,1-3H3
InChIKeyRLNITCPSPCKKGC-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.53
Rot. Bonds8

About 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol

1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 78820773) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
PubChem CID78820773
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
SMILESCOc1ccc(Cl)cc1CN(C)CC(O)COc1ccc(C)cc1
InChIInChI=1S/C19H24ClNO3/c1-14-4-7-18(8-5-14)24-13-17(22)12-21(2)11-15-10-16(20)6-9-19(15)23-3/h4-10,17,22H,11-13H2,1-3H3
InChIKeyRLNITCPSPCKKGC-UHFFFAOYSA-N
XLogP3.53
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 41324163
1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110880362
1-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 46798100
1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 134001793
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
CID 117039190
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80691132
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol
CID 16553388
ethyl 4-[2-hydroxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propoxy]benzoate
CID 24562430
4-[2-hydroxy-3-[methyl-[(4-methylphenyl)methyl]amino]propoxy]benzonitrile
CID 51160351
1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 78800592

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol (CID 78820773) is 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol is COc1ccc(Cl)cc1CN(C)CC(O)COc1ccc(C)cc1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is RLNITCPSPCKKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-14-4-7-18(8-5-14)24-13-17(22)12-21(2)11-15-10-16(20)6-9-19(15)23-3/h4-10,17,22H,11-13H2,1-3H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol?
1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 349.86 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 78820773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).