2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine

C17H24ClN — CID 117445362

IUPAC2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine
SMILESCC1(c2ccc(C3CCCCC3)c(Cl)c2)CCCN1
InChIInChI=1S/C17H24ClN/c1-17(10-5-11-19-17)14-8-9-15(16(18)12-14)13-6-3-2-4-7-13/h8-9,12-13,19H,2-7,10-11H2,1H3
InChIKeyVARXSQFZMNPBCS-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.99
Rot. Bonds2

About 2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine

2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine (PubChem CID 117445362) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine
PubChem CID117445362
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine
SMILESCC1(c2ccc(C3CCCCC3)c(Cl)c2)CCCN1
InChIInChI=1S/C17H24ClN/c1-17(10-5-11-19-17)14-8-9-15(16(18)12-14)13-6-3-2-4-7-13/h8-9,12-13,19H,2-7,10-11H2,1H3
InChIKeyVARXSQFZMNPBCS-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole
CID 117341459
4-bromo-2-chloro-1-cyclohexylbenzene
CID 158332061
methyl 2-(3-chloro-4-cyclohexylphenyl)oxirane-2-carboxylate
CID 88774912
1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine
CID 117344068
1-[2-chloro-4-(2-methylpyrrolidin-2-yl)phenyl]-1,2,4-triazole
CID 117411502
2-(4-cyclopentyloxyphenyl)-2-methylpyrrolidine
CID 117366157
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
2-(3-chloro-5-methylphenyl)-2-methylpyrrolidine
CID 117299720
1,4-dimethyl-6-(2-methylpyrrolidin-2-yl)-2,3-dihydroquinoxaline
CID 117366263
2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
CID 117414258
2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene
CID 18962081

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine (CID 117445362) is 2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine is CC1(c2ccc(C3CCCCC3)c(Cl)c2)CCCN1.
What is the InChIKey of 2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine?
The InChIKey is VARXSQFZMNPBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-17(10-5-11-19-17)14-8-9-15(16(18)12-14)13-6-3-2-4-7-13/h8-9,12-13,19H,2-7,10-11H2,1H3.
What are the key properties of 2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine?
2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine has a molecular weight of 277.84 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117445362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).