3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol

C14H19Cl2NO2 — CID 65185077

IUPAC3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol
SMILESNCC(c1c(Cl)cccc1Cl)C(O)C1CCOCC1
InChIInChI=1S/C14H19Cl2NO2/c15-11-2-1-3-12(16)13(11)10(8-17)14(18)9-4-6-19-7-5-9/h1-3,9-10,14,18H,4-8,17H2
InChIKeyISKAZXFJLCTDBC-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.82
Rot. Bonds4

About 3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol

3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol (PubChem CID 65185077) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol
PubChem CID65185077
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol
SMILESNCC(c1c(Cl)cccc1Cl)C(O)C1CCOCC1
InChIInChI=1S/C14H19Cl2NO2/c15-11-2-1-3-12(16)13(11)10(8-17)14(18)9-4-6-19-7-5-9/h1-3,9-10,14,18H,4-8,17H2
InChIKeyISKAZXFJLCTDBC-UHFFFAOYSA-N
XLogP2.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484
3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65184515
3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65186566
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 171162059
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185434
(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79898859
3-chloro-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103768982
3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol
CID 170827623
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol (CID 65185077) is 3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol is NCC(c1c(Cl)cccc1Cl)C(O)C1CCOCC1.
What is the InChIKey of 3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol?
The InChIKey is ISKAZXFJLCTDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c15-11-2-1-3-12(16)13(11)10(8-17)14(18)9-4-6-19-7-5-9/h1-3,9-10,14,18H,4-8,17H2.
What are the key properties of 3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol?
3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol has a molecular weight of 304.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 65185077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).