1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine

C16H25ClN2 — CID 79183981

IUPAC1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1N1CC(C)C(C)C1
InChIInChI=1S/C16H25ClN2/c1-4-13(18)8-14-15(17)6-5-7-16(14)19-9-11(2)12(3)10-19/h5-7,11-13H,4,8-10,18H2,1-3H3
InChIKeyGUCXSOLAIBFONR-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.71
Rot. Bonds4

About 1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine

1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine (PubChem CID 79183981) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
PubChem CID79183981
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1N1CC(C)C(C)C1
InChIInChI=1S/C16H25ClN2/c1-4-13(18)8-14-15(17)6-5-7-16(14)19-9-11(2)12(3)10-19/h5-7,11-13H,4,8-10,18H2,1-3H3
InChIKeyGUCXSOLAIBFONR-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66370852
1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
CID 63786250
1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine
CID 55234857
1-[2-chloro-6-(1,4-oxazepan-4-yl)phenyl]butan-2-amine
CID 55236034
N-[[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 79188653
1-[2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 107395892
1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503885
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 82699665
2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78951235
1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63787159
1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine (CID 79183981) is 1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine is CCC(N)Cc1c(Cl)cccc1N1CC(C)C(C)C1.
What is the InChIKey of 1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine?
The InChIKey is GUCXSOLAIBFONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-13(18)8-14-15(17)6-5-7-16(14)19-9-11(2)12(3)10-19/h5-7,11-13H,4,8-10,18H2,1-3H3.
What are the key properties of 1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine?
1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 79183981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).