(3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine

C14H22N2 — CID 59886840

IUPAC(3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(C)c(N2CC[C@@H](N(C)C)C2)c1
InChIInChI=1S/C14H22N2/c1-11-5-6-12(2)14(9-11)16-8-7-13(10-16)15(3)4/h5-6,9,13H,7-8,10H2,1-4H3/t13-/m1/s1
InChIKeyMZBIIALWEQYREK-CYBMUJFWSA-N
MW218.34 g/mol
LogP2.44
Rot. Bonds2

About (3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine

(3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 59886840) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID59886840
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(C)c(N2CC[C@@H](N(C)C)C2)c1
InChIInChI=1S/C14H22N2/c1-11-5-6-12(2)14(9-11)16-8-7-13(10-16)15(3)4/h5-6,9,13H,7-8,10H2,1-4H3/t13-/m1/s1
InChIKeyMZBIIALWEQYREK-CYBMUJFWSA-N
XLogP2.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
1-(2,5-dimethylphenyl)-N-propylpyrrolidin-3-amine
CID 43314896
1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 139516178
N,N-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-amine
CID 133328070
2-[[1-(2,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004643
2-[1-(2,5-dimethylphenyl)piperidin-4-yl]ethanol
CID 117003508
5-bromo-N-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methylphenyl]furan-2-carboxamide
CID 99784050
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165022
N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylphenyl]hex-5-ynamide
CID 122147444
1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164395
1-(2-ethynyl-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 155709362
(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol
CID 63372106

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine (CID 59886840) is (3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine is Cc1ccc(C)c(N2CC[C@@H](N(C)C)C2)c1.
What is the InChIKey of (3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is MZBIIALWEQYREK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-6-12(2)14(9-11)16-8-7-13(10-16)15(3)4/h5-6,9,13H,7-8,10H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine?
(3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 59886840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).