2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol

C17H20ClNO2 — CID 61212830

IUPAC2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(CO)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO2/c1-12(2)21-16-8-3-5-13(9-16)17(11-20)19-15-7-4-6-14(18)10-15/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyVLABOQINZWJNKT-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.27
Rot. Bonds6

About 2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol

2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol (PubChem CID 61212830) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
PubChem CID61212830
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(CO)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO2/c1-12(2)21-16-8-3-5-13(9-16)17(11-20)19-15-7-4-6-14(18)10-15/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyVLABOQINZWJNKT-UHFFFAOYSA-N
XLogP4.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
CID 61211137
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750
2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61047746
2-anilino-2-(4-propan-2-yloxyphenyl)ethanol
CID 61047340
3-butan-2-yloxy-N-[1-(3-chlorophenyl)ethyl]aniline
CID 63476598
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol (CID 61212830) is 2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol is CC(C)Oc1cccc(C(CO)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol?
The InChIKey is VLABOQINZWJNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(2)21-16-8-3-5-13(9-16)17(11-20)19-15-7-4-6-14(18)10-15/h3-10,12,17,19-20H,11H2,1-2H3.
What are the key properties of 2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol?
2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol has a molecular weight of 305.81 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 61212830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).