3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol

C15H23Cl2NO — CID 82073458

IUPAC3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccc(Cl)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C15H23Cl2NO/c1-5-18(15(2,3)4)9-8-14(19)11-6-7-12(16)13(17)10-11/h6-7,10,14,19H,5,8-9H2,1-4H3
InChIKeyKWSYJEPWYOTJEI-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.54
Rot. Bonds5

About 3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol

3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol (PubChem CID 82073458) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol
PubChem CID82073458
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccc(Cl)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C15H23Cl2NO/c1-5-18(15(2,3)4)9-8-14(19)11-6-7-12(16)13(17)10-11/h6-7,10,14,19H,5,8-9H2,1-4H3
InChIKeyKWSYJEPWYOTJEI-UHFFFAOYSA-N
XLogP4.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82073429
1-(4-chloro-3-methylphenyl)-3-(diethylamino)propan-1-ol
CID 82074586
3-[[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-methylamino]propanoic acid
CID 110830643
1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol
CID 44537014
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
(1S,3R)-3-amino-1-(3,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237440
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol
CID 82074609
(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
CID 92856160
1-(3,4-dichlorophenyl)-2-propoxyethanol
CID 62539379
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol
CID 82071565

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol (CID 82073458) is 3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol is CCN(CCC(O)c1ccc(Cl)c(Cl)c1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol?
The InChIKey is KWSYJEPWYOTJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-5-18(15(2,3)4)9-8-14(19)11-6-7-12(16)13(17)10-11/h6-7,10,14,19H,5,8-9H2,1-4H3.
What are the key properties of 3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol?
3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol has a molecular weight of 304.26 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 82073458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).