(1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol

C23H31NO3 — CID 18604742

IUPAC(1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol
SMILESCOc1ccc(-c2ccc(C(O)[C@H]3C[C@@H](O)[C@H](NC(C)(C)C)C3)cc2)cc1
InChIInChI=1S/C23H31NO3/c1-23(2,3)24-20-13-18(14-21(20)25)22(26)17-7-5-15(6-8-17)16-9-11-19(27-4)12-10-16/h5-12,18,20-22,24-26H,13-14H2,1-4H3/t18-,20-,21-,22?/m1/s1
InChIKeyYFFYDOPVTZVSKO-JQMRATEZSA-N
MW369.51 g/mol
LogP3.92
Rot. Bonds5

About (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol

(1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol (PubChem CID 18604742) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol
PubChem CID18604742
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name(1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol
SMILESCOc1ccc(-c2ccc(C(O)[C@H]3C[C@@H](O)[C@H](NC(C)(C)C)C3)cc2)cc1
InChIInChI=1S/C23H31NO3/c1-23(2,3)24-20-13-18(14-21(20)25)22(26)17-7-5-15(6-8-17)16-9-11-19(27-4)12-10-16/h5-12,18,20-22,24-26H,13-14H2,1-4H3/t18-,20-,21-,22?/m1/s1
InChIKeyYFFYDOPVTZVSKO-JQMRATEZSA-N
XLogP3.92
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

[4-(4-methoxyphenyl)phenyl]-piperidin-4-ylmethanol
CID 82341647
2,3-dihydro-1H-inden-2-yl-(4-methoxyphenyl)methanol
CID 65410577
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
(4-methoxyphenyl)-[2-(methylamino)cyclohexyl]methanol
CID 117066669
2-methoxy-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 12658876
cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol
CID 79104504
cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 6482546
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
cyclopropyl-[4-(4-methylphenyl)phenyl]methanol
CID 175668827

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol?
The IUPAC name of (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol (CID 18604742) is (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol?
The canonical SMILES for (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol is COc1ccc(-c2ccc(C(O)[C@H]3C[C@@H](O)[C@H](NC(C)(C)C)C3)cc2)cc1.
What is the InChIKey of (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol?
The InChIKey is YFFYDOPVTZVSKO-JQMRATEZSA-N. The full InChI is InChI=1S/C23H31NO3/c1-23(2,3)24-20-13-18(14-21(20)25)22(26)17-7-5-15(6-8-17)16-9-11-19(27-4)12-10-16/h5-12,18,20-22,24-26H,13-14H2,1-4H3/t18-,20-,21-,22?/m1/s1.
What are the key properties of (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol?
(1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol has a molecular weight of 369.51 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-(tert-butylamino)-4-[hydroxy-[4-(4-methoxyphenyl)phenyl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 18604742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).