(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine

C13H20N2 — CID 116935490

IUPAC(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
SMILESCc1ccc(C(N)C2CCNC2)cc1C
InChIInChI=1S/C13H20N2/c1-9-3-4-11(7-10(9)2)13(14)12-5-6-15-8-12/h3-4,7,12-13,15H,5-6,8,14H2,1-2H3
InChIKeyQGHITMXLIACRJU-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.91
Rot. Bonds2

About (3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine

(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine (PubChem CID 116935490) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
PubChem CID116935490
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
SMILESCc1ccc(C(N)C2CCNC2)cc1C
InChIInChI=1S/C13H20N2/c1-9-3-4-11(7-10(9)2)13(14)12-5-6-15-8-12/h3-4,7,12-13,15H,5-6,8,14H2,1-2H3
InChIKeyQGHITMXLIACRJU-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 62549202
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
3-[amino(pyrrolidin-3-yl)methyl]phenol
CID 105446386
(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
CID 116935834
(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine
CID 105140363
pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine
CID 116935548
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
The IUPAC name of (3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine (CID 116935490) is (3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
The canonical SMILES for (3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine is Cc1ccc(C(N)C2CCNC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
The InChIKey is QGHITMXLIACRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-3-4-11(7-10(9)2)13(14)12-5-6-15-8-12/h3-4,7,12-13,15H,5-6,8,14H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 116935490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).