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

C17H28N2 — CID 55098798

IUPACN-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCC(C)C1)c1cccc(C)c1
InChIInChI=1S/C17H28N2/c1-4-18-17(16-7-5-6-14(2)12-16)9-11-19-10-8-15(3)13-19/h5-7,12,15,17-18H,4,8-11,13H2,1-3H3
InChIKeyCJWVVFLVRGINRD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds6

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

N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine (PubChem CID 55098798) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
PubChem CID55098798
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCC(C)C1)c1cccc(C)c1
InChIInChI=1S/C17H28N2/c1-4-18-17(16-7-5-6-14(2)12-16)9-11-19-10-8-15(3)13-19/h5-7,12,15,17-18H,4,8-11,13H2,1-3H3
InChIKeyCJWVVFLVRGINRD-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol
CID 106674066
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
CID 106674181
1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538970
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
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800165

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine (CID 55098798) is N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine is CCNC(CCN1CCC(C)C1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is CJWVVFLVRGINRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-17(16-7-5-6-14(2)12-16)9-11-19-10-8-15(3)13-19/h5-7,12,15,17-18H,4,8-11,13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 55098798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).