2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride

C14H22Cl2N2 — CID 53487609

IUPAC2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
SMILESCl.NCC(CCN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2.ClH/c15-14-5-3-12(4-6-14)13(11-16)7-10-17-8-1-2-9-17;/h3-6,13H,1-2,7-11,16H2;1H
InChIKeySYNCNWCISYRWHF-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride

2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride (PubChem CID 53487609) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
PubChem CID53487609
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
SMILESCl.NCC(CCN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2.ClH/c15-14-5-3-12(4-6-14)13(11-16)7-10-17-8-1-2-9-17;/h3-6,13H,1-2,7-11,16H2;1H
InChIKeySYNCNWCISYRWHF-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 44828758
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 84752986
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206890
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275
1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine
CID 142172122
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine
CID 62644602
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride (CID 53487609) is 2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride is Cl.NCC(CCN1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride?
The InChIKey is SYNCNWCISYRWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2.ClH/c15-14-5-3-12(4-6-14)13(11-16)7-10-17-8-1-2-9-17;/h3-6,13H,1-2,7-11,16H2;1H.
What are the key properties of 2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride?
2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride has a molecular weight of 289.25 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride is sourced from PubChem (CID 53487609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).