1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride

C14H21Cl2N — CID 3057464

IUPAC1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride
SMILESCC(C)C(c1ccc(Cl)cc1)N1CCCC1.Cl
InChIInChI=1S/C14H20ClN.ClH/c1-11(2)14(16-9-3-4-10-16)12-5-7-13(15)8-6-12;/h5-8,11,14H,3-4,9-10H2,1-2H3;1H
InChIKeyYGIYSBLXVCNNIW-UHFFFAOYSA-N
MW274.24 g/mol
LogP4.55
Rot. Bonds3

About 1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride

1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride (PubChem CID 3057464) has the molecular formula C14H21Cl2N and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride
PubChem CID3057464
Molecular FormulaC14H21Cl2N
Molecular Weight274.24 g/mol
Exact Mass273.11
IUPAC Name1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride
SMILESCC(C)C(c1ccc(Cl)cc1)N1CCCC1.Cl
InChIInChI=1S/C14H20ClN.ClH/c1-11(2)14(16-9-3-4-10-16)12-5-7-13(15)8-6-12;/h5-8,11,14H,3-4,9-10H2,1-2H3;1H
InChIKeyYGIYSBLXVCNNIW-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorcyclizine
CID 2710
Chlorcyclizine Hydrochloride
CID 62413
Sibutramine Hydrochloride
CID 64764
4-chloro-N-cyclopentylbenzylamine
CID 834083
Pyrrobutamine
CID 8669
1-[(2E)-4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine
CID 5284614
2-(4-Chlorophenyl)-2-pyrrolidin-1-yl-acetonitrile
CID 24276601
3-(4-Chloro-phenyl)-2-(2-chloro-vinyl)-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 9948112
(3,4-Dichloro-benzyl)-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 15113313
3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza-bicyclo[3.2.1]octane
CID 15679192
Chlorcyclizine, (R)-
CID 688438
Homochlorcyclizine dihydrochloride
CID 656590

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride (CID 3057464) is 1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride is CC(C)C(c1ccc(Cl)cc1)N1CCCC1.Cl.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride?
The InChIKey is YGIYSBLXVCNNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN.ClH/c1-11(2)14(16-9-3-4-10-16)12-5-7-13(15)8-6-12;/h5-8,11,14H,3-4,9-10H2,1-2H3;1H.
What are the key properties of 1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride?
1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride has a molecular weight of 274.24 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 3057464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).