1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine

C16H25ClN2 — CID 79068490

IUPAC1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C16H25ClN2/c1-4-16(2,19-11-7-8-12-19)15(18-3)13-9-5-6-10-14(13)17/h5-6,9-10,15,18H,4,7-8,11-12H2,1-3H3
InChIKeyRSBBBJIWZZWBHB-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.87
Rot. Bonds5

About 1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine

1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79068490) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79068490
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C16H25ClN2/c1-4-16(2,19-11-7-8-12-19)15(18-3)13-9-5-6-10-14(13)17/h5-6,9-10,15,18H,4,7-8,11-12H2,1-3H3
InChIKeyRSBBBJIWZZWBHB-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79059314
N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine
CID 79065903
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79739109
1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79064925
[1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241133
N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069276
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79059308

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79068490) is 1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(NC)c1ccccc1Cl)N1CCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is RSBBBJIWZZWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-16(2,19-11-7-8-12-19)15(18-3)13-9-5-6-10-14(13)17/h5-6,9-10,15,18H,4,7-8,11-12H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79068490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).