1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine

C14H22N2 — CID 43315457

IUPAC1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C14H22N2/c1-4-15-13-5-6-16(10-13)14-8-11(2)7-12(3)9-14/h7-9,13,15H,4-6,10H2,1-3H3
InChIKeyVSMWXCWEFSXTSY-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.49
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine

1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine (PubChem CID 43315457) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine
PubChem CID43315457
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C14H22N2/c1-4-15-13-5-6-16(10-13)14-8-11(2)7-12(3)9-14/h7-9,13,15H,4-6,10H2,1-3H3
InChIKeyVSMWXCWEFSXTSY-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methylaniline
CID 7603
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
3-(Pyrrolidin-1-ylmethyl)aniline
CID 1096407
2-Mepp
CID 91965
Benzenamine, 3-methyl-4-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 109673
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
N,N'-Ethylenedi-m-toluidine
CID 81493
2-(N-benzylanilino)ethyl-dimethylazanium chloride
CID 16288
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
1-(3,5-Bis(trifluoromethyl)phenyl)piperazine
CID 770558
1-(2,5-Xylyl)piperazine
CID 70542
1-(m-Tolyl)piperazine
CID 83111

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine (CID 43315457) is 1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine is CCNC1CCN(c2cc(C)cc(C)c2)C1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine?
The InChIKey is VSMWXCWEFSXTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-15-13-5-6-16(10-13)14-8-11(2)7-12(3)9-14/h7-9,13,15H,4-6,10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine?
1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 43315457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).