2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol

C18H20ClNO — CID 61048389

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol
SMILESCc1cccc(NC(CO)(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C18H20ClNO/c1-13-3-2-4-17(11-13)20-18(12-21,14-5-6-14)15-7-9-16(19)10-8-15/h2-4,7-11,14,20-21H,5-6,12H2,1H3
InChIKeyASGDBRDIQVZGQH-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.36
Rot. Bonds5

About 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol

2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol (PubChem CID 61048389) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol
PubChem CID61048389
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol
SMILESCc1cccc(NC(CO)(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C18H20ClNO/c1-13-3-2-4-17(11-13)20-18(12-21,14-5-6-14)15-7-9-16(19)10-8-15/h2-4,7-11,14,20-21H,5-6,12H2,1H3
InChIKeyASGDBRDIQVZGQH-UHFFFAOYSA-N
XLogP4.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol
CID 61047502
2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol
CID 61049500
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79450583
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61049185
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 61049075

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol (CID 61048389) is 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol is Cc1cccc(NC(CO)(c2ccc(Cl)cc2)C2CC2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol?
The InChIKey is ASGDBRDIQVZGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-3-2-4-17(11-13)20-18(12-21,14-5-6-14)15-7-9-16(19)10-8-15/h2-4,7-11,14,20-21H,5-6,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol?
2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol has a molecular weight of 301.82 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol is sourced from PubChem (CID 61048389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).