2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

C14H21ClN2 — CID 63216309

IUPAC2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-14(2)7-4-8-17(14)13(10-16)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3
InChIKeyGARWOFBHPAYDPK-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.21
Rot. Bonds3

About 2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 63216309) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID63216309
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-14(2)7-4-8-17(14)13(10-16)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3
InChIKeyGARWOFBHPAYDPK-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216072
2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63215857
2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 61429561
2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 114487916
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 79984492
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-chlorophenyl)ethanamine
CID 62773618
1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid
CID 104599302
2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62886589
2-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562487
2-(2,2-dimethylpyrrolidin-1-yl)-3-phenylbutan-1-amine
CID 63215713
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (CID 63216309) is 2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCCN1C(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is GARWOFBHPAYDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-14(2)7-4-8-17(14)13(10-16)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63216309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).