(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine

C15H24N2 — CID 103959036

IUPAC(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1N1CCC(C)(C)C1
InChIInChI=1S/C15H24N2/c1-4-13(16)12-7-5-6-8-14(12)17-10-9-15(2,3)11-17/h5-8,13H,4,9-11,16H2,1-3H3/t13-/m0/s1
InChIKeyMGPRDBOZUONAHV-ZDUSSCGKSA-N
MW232.37 g/mol
LogP3.33
Rot. Bonds3

About (1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine

(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine (PubChem CID 103959036) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine
PubChem CID103959036
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1N1CCC(C)(C)C1
InChIInChI=1S/C15H24N2/c1-4-13(16)12-7-5-6-8-14(12)17-10-9-15(2,3)11-17/h5-8,13H,4,9-11,16H2,1-3H3/t13-/m0/s1
InChIKeyMGPRDBOZUONAHV-ZDUSSCGKSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358840
1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol
CID 103959062
3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine
CID 174262939
(1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-amine
CID 103958889
(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 107393064
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358770
2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103959060

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine (CID 103959036) is (1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1N1CCC(C)(C)C1.
What is the InChIKey of (1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine?
The InChIKey is MGPRDBOZUONAHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-13(16)12-7-5-6-8-14(12)17-10-9-15(2,3)11-17/h5-8,13H,4,9-11,16H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine?
(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 103959036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).