N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine

C18H30N2 — CID 83221641

IUPACN-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCC1CCC(C)N1Cc1cccc(CNC(C)C)c1
InChIInChI=1S/C18H30N2/c1-5-18-10-9-15(4)20(18)13-17-8-6-7-16(11-17)12-19-14(2)3/h6-8,11,14-15,18-19H,5,9-10,12-13H2,1-4H3
InChIKeyXAMKUSOAVYJCHQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.95
Rot. Bonds6

About N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 83221641) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID83221641
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCC1CCC(C)N1Cc1cccc(CNC(C)C)c1
InChIInChI=1S/C18H30N2/c1-5-18-10-9-15(4)20(18)13-17-8-6-7-16(11-17)12-19-14(2)3/h6-8,11,14-15,18-19H,5,9-10,12-13H2,1-4H3
InChIKeyXAMKUSOAVYJCHQ-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 83227678
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
N-[[3-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 83218925
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62426943
N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62930308
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 83220620
1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
CID 83220677
N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 83220271
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 63980069
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine
CID 83227064
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
CID 83227764

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 83221641) is N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine is CCC1CCC(C)N1Cc1cccc(CNC(C)C)c1.
What is the InChIKey of N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is XAMKUSOAVYJCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-18-10-9-15(4)20(18)13-17-8-6-7-16(11-17)12-19-14(2)3/h6-8,11,14-15,18-19H,5,9-10,12-13H2,1-4H3.
What are the key properties of N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 83221641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).