1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride

C15H23Cl2N — CID 3057474

IUPAC1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride
SMILESCC(C)CC(c1ccc(Cl)cc1)N1CCCC1.Cl
InChIInChI=1S/C15H22ClN.ClH/c1-12(2)11-15(17-9-3-4-10-17)13-5-7-14(16)8-6-13;/h5-8,12,15H,3-4,9-11H2,1-2H3;1H
InChIKeyBNDCLXCUNKEPPY-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.94
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride

1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride (PubChem CID 3057474) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride
PubChem CID3057474
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride
SMILESCC(C)CC(c1ccc(Cl)cc1)N1CCCC1.Cl
InChIInChI=1S/C15H22ClN.ClH/c1-12(2)11-15(17-9-3-4-10-17)13-5-7-14(16)8-6-13;/h5-8,12,15H,3-4,9-11H2,1-2H3;1H
InChIKeyBNDCLXCUNKEPPY-UHFFFAOYSA-N
XLogP4.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-methylpiperazine;ethane
CID 176717104
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine
CID 150848803
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287565
2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 45075211
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride (CID 3057474) is 1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride is CC(C)CC(c1ccc(Cl)cc1)N1CCCC1.Cl.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride?
The InChIKey is BNDCLXCUNKEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN.ClH/c1-12(2)11-15(17-9-3-4-10-17)13-5-7-14(16)8-6-13;/h5-8,12,15H,3-4,9-11H2,1-2H3;1H.
What are the key properties of 1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride?
1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride has a molecular weight of 288.26 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 3057474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).