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

C16H26N2O — CID 81371157

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCOc1ccc([C@@H](C)NC(C)CC2CCCN2)cc1
InChIInChI=1S/C16H26N2O/c1-12(11-15-5-4-10-17-15)18-13(2)14-6-8-16(19-3)9-7-14/h6-9,12-13,15,17-18H,4-5,10-11H2,1-3H3/t12?,13-,15?/m1/s1
InChIKeyOEAUTVKSNKUJTJ-JVWICGRDSA-N
MW262.40 g/mol
LogP2.88
Rot. Bonds6

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

N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 81371157) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID81371157
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCOc1ccc([C@@H](C)NC(C)CC2CCCN2)cc1
InChIInChI=1S/C16H26N2O/c1-12(11-15-5-4-10-17-15)18-13(2)14-6-8-16(19-3)9-7-14/h6-9,12-13,15,17-18H,4-5,10-11H2,1-3H3/t12?,13-,15?/m1/s1
InChIKeyOEAUTVKSNKUJTJ-JVWICGRDSA-N
XLogP2.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
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-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea
CID 79538316
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79537731
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 81371157) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is COc1ccc([C@@H](C)NC(C)CC2CCCN2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is OEAUTVKSNKUJTJ-JVWICGRDSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(11-15-5-4-10-17-15)18-13(2)14-6-8-16(19-3)9-7-14/h6-9,12-13,15,17-18H,4-5,10-11H2,1-3H3/t12?,13-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 81371157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).