(S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine

C24H25NO2 — CID 171217975

IUPAC(S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine
SMILESN[C@H](c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1)C1CCCC1
InChIInChI=1S/C24H25NO2/c25-24(18-9-7-8-10-18)19-15-16-22(26-20-11-3-1-4-12-20)23(17-19)27-21-13-5-2-6-14-21/h1-6,11-18,24H,7-10,25H2/t24-/m0/s1
InChIKeyDLOPNBQTAXYHGC-DEOSSOPVSA-N
MW359.47 g/mol
LogP6.46
Rot. Bonds6

About (S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine

(S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine (PubChem CID 171217975) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine
PubChem CID171217975
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine
SMILESN[C@H](c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1)C1CCCC1
InChIInChI=1S/C24H25NO2/c25-24(18-9-7-8-10-18)19-15-16-22(26-20-11-3-1-4-12-20)23(17-19)27-21-13-5-2-6-14-21/h1-6,11-18,24H,7-10,25H2/t24-/m0/s1
InChIKeyDLOPNBQTAXYHGC-DEOSSOPVSA-N
XLogP6.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3,4-diphenoxyphenyl)-(oxan-4-yl)methanamine
CID 171238967
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
cyclohexyl(naphthalen-2-yl)methanamine
CID 62715199
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine
CID 171217937
(1S)-1-(3,4-diphenoxyphenyl)propan-1-amine
CID 171217949
cyclohexyl(phenyl)methanamine
CID 11064121
cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171213011
oxan-4-yl-(4-phenoxyphenyl)methanamine
CID 62906011
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
(1R,2S)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171269374

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine?
The IUPAC name of (S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine (CID 171217975) is (S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine.
What is the SMILES notation for (S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine?
The canonical SMILES for (S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine is N[C@H](c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine?
The InChIKey is DLOPNBQTAXYHGC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25NO2/c25-24(18-9-7-8-10-18)19-15-16-22(26-20-11-3-1-4-12-20)23(17-19)27-21-13-5-2-6-14-21/h1-6,11-18,24H,7-10,25H2/t24-/m0/s1.
What are the key properties of (S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine?
(S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine has a molecular weight of 359.47 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine is sourced from PubChem (CID 171217975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).