2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine

C14H20Cl2N2 — CID 84752986

IUPAC2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
SMILESNCC(CCN1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2/c15-12-3-4-13(14(16)9-12)11(10-17)5-8-18-6-1-2-7-18/h3-4,9,11H,1-2,5-8,10,17H2
InChIKeyQSRWYVKULHGKIV-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.52
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine

2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine (PubChem CID 84752986) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
PubChem CID84752986
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
SMILESNCC(CCN1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2/c15-12-3-4-13(14(16)9-12)11(10-17)5-8-18-6-1-2-7-18/h3-4,9,11H,1-2,5-8,10,17H2
InChIKeyQSRWYVKULHGKIV-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
CID 53487609
2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 44828758
3-amino-2-(2,4-dichlorophenyl)propan-1-ol
CID 79684863
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 63454562
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
CID 82107556
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
1-[1-(2,4-dichlorophenyl)ethyl]-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059818
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine (CID 84752986) is 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine is NCC(CCN1CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is QSRWYVKULHGKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c15-12-3-4-13(14(16)9-12)11(10-17)5-8-18-6-1-2-7-18/h3-4,9,11H,1-2,5-8,10,17H2.
What are the key properties of 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine?
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 287.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 84752986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).