5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine

C21H27NO2 — CID 126507338

IUPAC5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine
SMILESCOc1ccc(C2CCC(C)(C)C2N)cc1OCc1ccccc1
InChIInChI=1S/C21H27NO2/c1-21(2)12-11-17(20(21)22)16-9-10-18(23-3)19(13-16)24-14-15-7-5-4-6-8-15/h4-10,13,17,20H,11-12,14,22H2,1-3H3
InChIKeyWDYVXEWPMWLDLJ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.51
Rot. Bonds5

About 5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine

5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine (PubChem CID 126507338) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine
PubChem CID126507338
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine
SMILESCOc1ccc(C2CCC(C)(C)C2N)cc1OCc1ccccc1
InChIInChI=1S/C21H27NO2/c1-21(2)12-11-17(20(21)22)16-9-10-18(23-3)19(13-16)24-14-15-7-5-4-6-8-15/h4-10,13,17,20H,11-12,14,22H2,1-3H3
InChIKeyWDYVXEWPMWLDLJ-UHFFFAOYSA-N
XLogP4.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188683
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1192679
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
dimethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4607750
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
(1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 62707044
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
CID 171264853
1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 23763829
(4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde
CID 59902301
6-(4-methoxy-3-phenylmethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 2882100

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine (CID 126507338) is 5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine is COc1ccc(C2CCC(C)(C)C2N)cc1OCc1ccccc1.
What is the InChIKey of 5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine?
The InChIKey is WDYVXEWPMWLDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-21(2)12-11-17(20(21)22)16-9-10-18(23-3)19(13-16)24-14-15-7-5-4-6-8-15/h4-10,13,17,20H,11-12,14,22H2,1-3H3.
What are the key properties of 5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine?
5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine has a molecular weight of 325.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 126507338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).