(2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol

C18H29Cl2NO — CID 151807018

IUPAC(2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol
SMILESCCCCCCCCCCN[C@H](CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H29Cl2NO/c1-2-3-4-5-6-7-8-9-12-21-18(14-22)16-11-10-15(19)13-17(16)20/h10-11,13,18,21-22H,2-9,12,14H2,1H3/t18-/m1/s1
InChIKeyRZUZSMBMOJRHGD-GOSISDBHSA-N
MW346.34 g/mol
LogP5.76
Rot. Bonds12

About (2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol

(2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol (PubChem CID 151807018) has the molecular formula C18H29Cl2NO and a molecular weight of 346.34 g/mol. Its IUPAC name is (2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol
PubChem CID151807018
Molecular FormulaC18H29Cl2NO
Molecular Weight346.34 g/mol
Exact Mass345.16
IUPAC Name(2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol
SMILESCCCCCCCCCCN[C@H](CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H29Cl2NO/c1-2-3-4-5-6-7-8-9-12-21-18(14-22)16-11-10-15(19)13-17(16)20/h10-11,13,18,21-22H,2-9,12,14H2,1H3/t18-/m1/s1
InChIKeyRZUZSMBMOJRHGD-GOSISDBHSA-N
XLogP5.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.34
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)heptylhydrazine
CID 105293920
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
CID 82313293
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
1-(2-chloro-4-methylphenyl)-N-propyloctan-1-amine
CID 106857214
1-(1-bromodecyl)-2,4-dichlorobenzene
CID 65427160
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
CID 61044772
2,4-dichloro-N-decylaniline
CID 63489638
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
2-(2,4-dichlorophenyl)pentan-1-ol;methanesulfonic acid
CID 88843036

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol?
The IUPAC name of (2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol (CID 151807018) is (2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for (2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for (2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol is CCCCCCCCCCN[C@H](CO)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol?
The InChIKey is RZUZSMBMOJRHGD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29Cl2NO/c1-2-3-4-5-6-7-8-9-12-21-18(14-22)16-11-10-15(19)13-17(16)20/h10-11,13,18,21-22H,2-9,12,14H2,1H3/t18-/m1/s1.
What are the key properties of (2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol?
(2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol has a molecular weight of 346.34 g/mol, XLogP of 5.76, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 151807018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).