N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine

C18H22N2O — CID 43315198

IUPACN-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
SMILESCCNC1CCN(c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C18H22N2O/c1-2-19-15-12-13-20(14-15)17-10-6-7-11-18(17)21-16-8-4-3-5-9-16/h3-11,15,19H,2,12-14H2,1H3
InChIKeyXJJISIBVSLOTQJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds5

About N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine

N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine (PubChem CID 43315198) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
PubChem CID43315198
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
SMILESCCNC1CCN(c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C18H22N2O/c1-2-19-15-12-13-20(14-15)17-10-6-7-11-18(17)21-16-8-4-3-5-9-16/h3-11,15,19H,2,12-14H2,1H3
InChIKeyXJJISIBVSLOTQJ-UHFFFAOYSA-N
XLogP3.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
CID 43315199
N-methyl-1-(2-phenoxyphenyl)piperidin-4-amine
CID 43315200
[1-(2-phenoxyphenyl)pyrrolidin-3-yl]methanol
CID 64865616
N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine
CID 54967543
N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315015
1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
CID 103480318
1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N-ethyl-1-(2-propylphenyl)piperidin-4-amine
CID 54963841
1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine
CID 103414484
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
CID 54967542
4-(2-phenoxyphenyl)morpholine
CID 518097

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine (CID 43315198) is N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine is CCNC1CCN(c2ccccc2Oc2ccccc2)C1.
What is the InChIKey of N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine?
The InChIKey is XJJISIBVSLOTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-19-15-12-13-20(14-15)17-10-6-7-11-18(17)21-16-8-4-3-5-9-16/h3-11,15,19H,2,12-14H2,1H3.
What are the key properties of N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine?
N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 43315198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).