(2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine

C18H26ClNO — CID 154375090

IUPAC(2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CC2CCC(c3ccc(Cl)cc3)C2)C[C@H](C)O1
InChIInChI=1S/C18H26ClNO/c1-13-10-20(11-14(2)21-13)12-15-3-4-17(9-15)16-5-7-18(19)8-6-16/h5-8,13-15,17H,3-4,9-12H2,1-2H3/t13-,14+,15?,17?
InChIKeyJNZGOMSPJBBLDH-KWOWKCNFSA-N
MW307.87 g/mol
LogP4.33
Rot. Bonds3

About (2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine

(2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine (PubChem CID 154375090) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is (2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine
PubChem CID154375090
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name(2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CC2CCC(c3ccc(Cl)cc3)C2)C[C@H](C)O1
InChIInChI=1S/C18H26ClNO/c1-13-10-20(11-14(2)21-13)12-15-3-4-17(9-15)16-5-7-18(19)8-6-16/h5-8,13-15,17H,3-4,9-12H2,1-2H3/t13-,14+,15?,17?
InChIKeyJNZGOMSPJBBLDH-KWOWKCNFSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4aR,8aR)-2-(4-chlorophenyl)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809545
5-chloro-2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]benzonitrile
CID 133447868
2-(4-chlorophenyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384197
2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine
CID 102936772
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
2-(4-chlorophenyl)-5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 172898318
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine
CID 2935352
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
(2S,6R)-2,6-dimethyl-4-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]methyl]morpholine
CID 156504066
cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine
CID 142165955
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine (CID 154375090) is (2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(CC2CCC(c3ccc(Cl)cc3)C2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine?
The InChIKey is JNZGOMSPJBBLDH-KWOWKCNFSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-13-10-20(11-14(2)21-13)12-15-3-4-17(9-15)16-5-7-18(19)8-6-16/h5-8,13-15,17H,3-4,9-12H2,1-2H3/t13-,14+,15?,17?.
What are the key properties of (2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine has a molecular weight of 307.87 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[[3-(4-chlorophenyl)cyclopentyl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 154375090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).