(1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol

C14H21Cl2NO — CID 90683345

IUPAC(1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol
SMILESCCC(C)(C)N[C@@H](C)[C@H](O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-5-14(3,4)17-9(2)13(18)10-6-7-11(15)12(16)8-10/h6-9,13,17-18H,5H2,1-4H3/t9-,13-/m0/s1
InChIKeyZUVDVUBYPVXLLW-ZANVPECISA-N
MW290.23 g/mol
LogP4.19
Rot. Bonds5

About (1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol

(1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol (PubChem CID 90683345) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is (1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol
PubChem CID90683345
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name(1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol
SMILESCCC(C)(C)N[C@@H](C)[C@H](O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-5-14(3,4)17-9(2)13(18)10-6-7-11(15)12(16)8-10/h6-9,13,17-18H,5H2,1-4H3/t9-,13-/m0/s1
InChIKeyZUVDVUBYPVXLLW-ZANVPECISA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol?
The IUPAC name of (1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol (CID 90683345) is (1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol.
What is the SMILES notation for (1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol?
The canonical SMILES for (1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol is CCC(C)(C)N[C@@H](C)[C@H](O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol?
The InChIKey is ZUVDVUBYPVXLLW-ZANVPECISA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-5-14(3,4)17-9(2)13(18)10-6-7-11(15)12(16)8-10/h6-9,13,17-18H,5H2,1-4H3/t9-,13-/m0/s1.
What are the key properties of (1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol?
(1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol has a molecular weight of 290.23 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(3,4-dichlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-ol is sourced from PubChem (CID 90683345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).