(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine

C17H26N2O — CID 59556083

IUPAC(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN([C@H]2CCCC[C@@H]2OCc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c18-15-10-11-19(12-15)16-8-4-5-9-17(16)20-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,18H2/t15-,16+,17+/m1/s1
InChIKeyJLUGOUFVUXRUIO-IKGGRYGDSA-N
MW274.41 g/mol
LogP2.55
Rot. Bonds4

About (3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine

(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine (PubChem CID 59556083) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine
PubChem CID59556083
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN([C@H]2CCCC[C@@H]2OCc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c18-15-10-11-19(12-15)16-8-4-5-9-17(16)20-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,18H2/t15-,16+,17+/m1/s1
InChIKeyJLUGOUFVUXRUIO-IKGGRYGDSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325951
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 59422481
(1R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 126658683
(3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol
CID 56648989
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
CID 157461920
CID 157461920
(1S,6S,7R,8R,8aS)-1,6,7,8-tetrakis(phenylmethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11124483
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571381

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine (CID 59556083) is (3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine is N[C@@H]1CCN([C@H]2CCCC[C@@H]2OCc2ccccc2)C1.
What is the InChIKey of (3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine?
The InChIKey is JLUGOUFVUXRUIO-IKGGRYGDSA-N. The full InChI is InChI=1S/C17H26N2O/c18-15-10-11-19(12-15)16-8-4-5-9-17(16)20-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,18H2/t15-,16+,17+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine?
(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine is sourced from PubChem (CID 59556083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).