N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine

C17H28N2 — CID 62613985

IUPACN-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCCC1C)c1ccc(C)cc1
InChIInChI=1S/C17H28N2/c1-4-18-17(16-9-7-14(2)8-10-16)11-13-19-12-5-6-15(19)3/h7-10,15,17-18H,4-6,11-13H2,1-3H3
InChIKeyOWNGZDKUSPHUPC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine

N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine (PubChem CID 62613985) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
PubChem CID62613985
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCCC1C)c1ccc(C)cc1
InChIInChI=1S/C17H28N2/c1-4-18-17(16-9-7-14(2)8-10-16)11-13-19-12-5-6-15(19)3/h7-10,15,17-18H,4-6,11-13H2,1-3H3
InChIKeyOWNGZDKUSPHUPC-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 62617686
[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol
CID 62618435
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62645062
1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62619080
2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800165
N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63468845
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
CID 63028079
3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63495682
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine (CID 62613985) is N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine is CCNC(CCN1CCCC1C)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is OWNGZDKUSPHUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-17(16-9-7-14(2)8-10-16)11-13-19-12-5-6-15(19)3/h7-10,15,17-18H,4-6,11-13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 62613985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).