N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

C17H28N2 — CID 79541259

IUPACN-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCCc1ccc(C(C)NC(C)CC2CCCN2)cc1
InChIInChI=1S/C17H28N2/c1-4-15-7-9-16(10-8-15)14(3)19-13(2)12-17-6-5-11-18-17/h7-10,13-14,17-19H,4-6,11-12H2,1-3H3
InChIKeyVSZJZMTYNATBMW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.43
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79541259) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79541259
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCCc1ccc(C(C)NC(C)CC2CCCN2)cc1
InChIInChI=1S/C17H28N2/c1-4-15-7-9-16(10-8-15)14(3)19-13(2)12-17-6-5-11-18-17/h7-10,13-14,17-19H,4-6,11-12H2,1-3H3
InChIKeyVSZJZMTYNATBMW-UHFFFAOYSA-N
XLogP3.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea
CID 79538316
1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
CID 113489748
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 79541259) is N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is CCc1ccc(C(C)NC(C)CC2CCCN2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is VSZJZMTYNATBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-15-7-9-16(10-8-15)14(3)19-13(2)12-17-6-5-11-18-17/h7-10,13-14,17-19H,4-6,11-12H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79541259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).