N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine

C13H20N2 — CID 116999979

IUPACN,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc(C2(N(C)C)CCNC2)cc1
InChIInChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)13(15(2)3)8-9-14-10-13/h4-7,14H,8-10H2,1-3H3
InChIKeyHFMMPWCTTMXYJO-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.75
Rot. Bonds2

About N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine

N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine (PubChem CID 116999979) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine
PubChem CID116999979
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc(C2(N(C)C)CCNC2)cc1
InChIInChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)13(15(2)3)8-9-14-10-13/h4-7,14H,8-10H2,1-3H3
InChIKeyHFMMPWCTTMXYJO-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine (CID 116999979) is N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine is Cc1ccc(C2(N(C)C)CCNC2)cc1.
What is the InChIKey of N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine?
The InChIKey is HFMMPWCTTMXYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)13(15(2)3)8-9-14-10-13/h4-7,14H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine?
N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 116999979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).