3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol

C16H26ClNO2 — CID 83940722

IUPAC3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCCCOc1c(C)cc(Cl)c(C)c1C(CCO)N(C)C
InChIInChI=1S/C16H26ClNO2/c1-6-9-20-16-11(2)10-13(17)12(3)15(16)14(7-8-19)18(4)5/h10,14,19H,6-9H2,1-5H3
InChIKeyVHWONDSPOJXAPU-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.73
Rot. Bonds7

About 3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol

3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 83940722) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol
PubChem CID83940722
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCCCOc1c(C)cc(Cl)c(C)c1C(CCO)N(C)C
InChIInChI=1S/C16H26ClNO2/c1-6-9-20-16-11(2)10-13(17)12(3)15(16)14(7-8-19)18(4)5/h10,14,19H,6-9H2,1-5H3
InChIKeyVHWONDSPOJXAPU-UHFFFAOYSA-N
XLogP3.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)heptan-1-amine
CID 83940695
3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentyl thiocyanate
CID 112719427
3-chloro-2,5-dimethyl-6-propoxybenzoic acid
CID 82266755
1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine
CID 82552354
2-[2-(3-chloro-2,5-dimethyl-6-propoxyphenyl)butyl]-3-methyloxirane
CID 83940779
5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one
CID 83940685
1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine
CID 83940725
4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-methylbutanethioamide
CID 83940733
3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
CID 83937747
1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene
CID 83940767
3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
CID 116907711
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol (CID 83940722) is 3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol is CCCOc1c(C)cc(Cl)c(C)c1C(CCO)N(C)C.
What is the InChIKey of 3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is VHWONDSPOJXAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-6-9-20-16-11(2)10-13(17)12(3)15(16)14(7-8-19)18(4)5/h10,14,19H,6-9H2,1-5H3.
What are the key properties of 3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol?
3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 299.84 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 83940722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).