(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine

C13H20N2 — CID 24904821

IUPAC(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1ccc(CN2CC[C@@H](N)C2)c(C)c1
InChIInChI=1S/C13H20N2/c1-10-3-4-12(11(2)7-10)8-15-6-5-13(14)9-15/h3-4,7,13H,5-6,8-9,14H2,1-2H3/t13-/m1/s1
InChIKeyAJIVUONCSPBTEM-CYBMUJFWSA-N
MW204.32 g/mol
LogP1.84
Rot. Bonds2

About (3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine

(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 24904821) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
PubChem CID24904821
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1ccc(CN2CC[C@@H](N)C2)c(C)c1
InChIInChI=1S/C13H20N2/c1-10-3-4-12(11(2)7-10)8-15-6-5-13(14)9-15/h3-4,7,13H,5-6,8-9,14H2,1-2H3/t13-/m1/s1
InChIKeyAJIVUONCSPBTEM-CYBMUJFWSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
(3S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 115302519
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440
(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
CID 81491962
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178
N-[[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241176
(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine
CID 94339879
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
4-[(3-aminopyrrolidin-1-yl)methyl]benzene-1,3-diol
CID 62069032

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine (CID 24904821) is (3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine is Cc1ccc(CN2CC[C@@H](N)C2)c(C)c1.
What is the InChIKey of (3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is AJIVUONCSPBTEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-3-4-12(11(2)7-10)8-15-6-5-13(14)9-15/h3-4,7,13H,5-6,8-9,14H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine?
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 24904821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).