(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine

C14H22N2 — CID 98177963

IUPAC(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
SMILESCCN[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-3-15-14-9-10-16(11-14)12(2)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyKYHJIZBPFBUCSV-TZMCWYRMSA-N
MW218.34 g/mol
LogP2.43
Rot. Bonds4

About (3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine

(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine (PubChem CID 98177963) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
PubChem CID98177963
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
SMILESCCN[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-3-15-14-9-10-16(11-14)12(2)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyKYHJIZBPFBUCSV-TZMCWYRMSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
(1S)-1-(4-methylphenyl)-2-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]ethanol
CID 98848116
(3S)-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-amine
CID 95598751
1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 56827336
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
CID 122039894
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide
CID 95972242
(3S)-1-[(1S)-1-phenylethyl]-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 95789191
2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol
CID 71855462

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine (CID 98177963) is (3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine is CCN[C@@H]1CCN([C@H](C)c2ccccc2)C1.
What is the InChIKey of (3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine?
The InChIKey is KYHJIZBPFBUCSV-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-15-14-9-10-16(11-14)12(2)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine?
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine is sourced from PubChem (CID 98177963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).