N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

C18H30N2 — CID 83219785

IUPACN-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(C)N1c1ccc(CNCC(C)C)cc1
InChIInChI=1S/C18H30N2/c1-5-17-9-6-15(4)20(17)18-10-7-16(8-11-18)13-19-12-14(2)3/h7-8,10-11,14-15,17,19H,5-6,9,12-13H2,1-4H3
InChIKeyXZKPWWFNEBFVOW-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.20
Rot. Bonds6

About N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 83219785) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID83219785
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(C)N1c1ccc(CNCC(C)C)cc1
InChIInChI=1S/C18H30N2/c1-5-17-9-6-15(4)20(17)18-10-7-16(8-11-18)13-19-12-14(2)3/h7-8,10-11,14-15,17,19H,5-6,9,12-13H2,1-4H3
InChIKeyXZKPWWFNEBFVOW-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 83219275
N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83221223
1-[4-(chloromethyl)phenyl]-2-ethyl-5-methylpyrrolidine
CID 83220626
(1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 83220342
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
N-[[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63492552
N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine
CID 63059689
N-[[3-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 83218925
1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol
CID 83220393
4-(2-ethyl-5-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 83227295
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63059986
N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 83221234

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 83219785) is N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is CCC1CCC(C)N1c1ccc(CNCC(C)C)cc1.
What is the InChIKey of N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is XZKPWWFNEBFVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-17-9-6-15(4)20(17)18-10-7-16(8-11-18)13-19-12-14(2)3/h7-8,10-11,14-15,17,19H,5-6,9,12-13H2,1-4H3.
What are the key properties of N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83219785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).