1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine

C17H28N2 — CID 112678203

IUPAC1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1N1CC(C)C(C)C1
InChIInChI=1S/C17H28N2/c1-5-16(18-6-2)15-9-7-8-10-17(15)19-11-13(3)14(4)12-19/h7-10,13-14,16,18H,5-6,11-12H2,1-4H3
InChIKeyBIXRNSMNHHSZGJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.84
Rot. Bonds5

About 1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine

1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine (PubChem CID 112678203) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
PubChem CID112678203
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1N1CC(C)C(C)C1
InChIInChI=1S/C17H28N2/c1-5-16(18-6-2)15-9-7-8-10-17(15)19-11-13(3)14(4)12-19/h7-10,13-14,16,18H,5-6,11-12H2,1-4H3
InChIKeyBIXRNSMNHHSZGJ-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 115995389
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[1-[2-[1-(ethylamino)propyl]phenyl]piperidin-4-yl]ethanol
CID 106836305
1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995307
1-[2-(4-ethoxypiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115994916
1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 112677950
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
CID 115995191
(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
CID 79188358
4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
CID 115995228
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine (CID 112678203) is 1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccccc1N1CC(C)C(C)C1.
What is the InChIKey of 1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine?
The InChIKey is BIXRNSMNHHSZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-16(18-6-2)15-9-7-8-10-17(15)19-11-13(3)14(4)12-19/h7-10,13-14,16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine?
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 112678203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).