(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine

C20H25NO2 — CID 171234171

IUPAC(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
SMILESCOc1cc([C@@H](N)C2CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-22-19-13-17(20(21)16-9-5-6-10-16)11-12-18(19)23-14-15-7-3-2-4-8-15/h2-4,7-8,11-13,16,20H,5-6,9-10,14,21H2,1H3/t20-/m0/s1
InChIKeyVPJGGFFHDSXOIO-FQEVSTJZSA-N
MW311.43 g/mol
LogP4.46
Rot. Bonds6

About (S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine

(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine (PubChem CID 171234171) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
PubChem CID171234171
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
SMILESCOc1cc([C@@H](N)C2CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-22-19-13-17(20(21)16-9-5-6-10-16)11-12-18(19)23-14-15-7-3-2-4-8-15/h2-4,7-8,11-13,16,20H,5-6,9-10,14,21H2,1H3/t20-/m0/s1
InChIKeyVPJGGFFHDSXOIO-FQEVSTJZSA-N
XLogP4.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171213011
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032
(1S,2R)-2-amino-1-cyclopentyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol;hydrochloride
CID 171264858
(R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314543
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171233983
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
CID 171264853
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
(S)-cyclopentyl-(2-phenylmethoxyphenyl)methanamine
CID 171233921
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine?
The IUPAC name of (S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine (CID 171234171) is (S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine.
What is the SMILES notation for (S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine?
The canonical SMILES for (S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine is COc1cc([C@@H](N)C2CCCC2)ccc1OCc1ccccc1.
What is the InChIKey of (S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine?
The InChIKey is VPJGGFFHDSXOIO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25NO2/c1-22-19-13-17(20(21)16-9-5-6-10-16)11-12-18(19)23-14-15-7-3-2-4-8-15/h2-4,7-8,11-13,16,20H,5-6,9-10,14,21H2,1H3/t20-/m0/s1.
What are the key properties of (S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine?
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine has a molecular weight of 311.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine is sourced from PubChem (CID 171234171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).