3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol

C14H22ClNO2 — CID 83937747

IUPAC3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCCCOc1cc(C)c(Cl)cc1C(CCO)NC
InChIInChI=1S/C14H22ClNO2/c1-4-7-18-14-8-10(2)12(15)9-11(14)13(16-3)5-6-17/h8-9,13,16-17H,4-7H2,1-3H3
InChIKeyGQQUBRVPBVSWJR-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.08
Rot. Bonds7

About 3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol

3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol (PubChem CID 83937747) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
PubChem CID83937747
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCCCOc1cc(C)c(Cl)cc1C(CCO)NC
InChIInChI=1S/C14H22ClNO2/c1-4-7-18-14-8-10(2)12(15)9-11(14)13(16-3)5-6-17/h8-9,13,16-17H,4-7H2,1-3H3
InChIKeyGQQUBRVPBVSWJR-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
CID 83937769
6-(5-chloro-4-methyl-2-propoxyphenyl)octan-3-one
CID 83937736
5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
CID 83937822
3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol
CID 83943179
6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
CID 83937721
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
1-chloro-2-methyl-5-(3-methylhex-4-yn-2-yl)-4-propoxybenzene
CID 83937789
3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83937613
1-(5-chloro-4-methyl-2-propoxyphenyl)heptane-3,4-diol
CID 83937827
3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol
CID 83942562
methyl 2-(5-chloro-4-methyl-2-propoxyphenyl)acetate
CID 82553246

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol (CID 83937747) is 3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol is CCCOc1cc(C)c(Cl)cc1C(CCO)NC.
What is the InChIKey of 3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is GQQUBRVPBVSWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-7-18-14-8-10(2)12(15)9-11(14)13(16-3)5-6-17/h8-9,13,16-17H,4-7H2,1-3H3.
What are the key properties of 3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol?
3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 83937747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).