(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol

C19H25NOS — CID 100680717

IUPAC(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol
SMILESC[C@H](NC[C@H](O)c1ccsc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H25NOS/c1-15(20-13-18(21)16-9-12-22-14-16)19(10-5-6-11-19)17-7-3-2-4-8-17/h2-4,7-9,12,14-15,18,20-21H,5-6,10-11,13H2,1H3/t15-,18-/m0/s1
InChIKeyIAWLZWWTFKQTMF-YJBOKZPZSA-N
MW315.48 g/mol
LogP4.27
Rot. Bonds6

About (1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol

(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol (PubChem CID 100680717) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is (1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol
PubChem CID100680717
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol
SMILESC[C@H](NC[C@H](O)c1ccsc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H25NOS/c1-15(20-13-18(21)16-9-12-22-14-16)19(10-5-6-11-19)17-7-3-2-4-8-17/h2-4,7-9,12,14-15,18,20-21H,5-6,10-11,13H2,1H3/t15-,18-/m0/s1
InChIKeyIAWLZWWTFKQTMF-YJBOKZPZSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine
CID 65105093
N-methyl-1-(1-phenylcyclopropyl)-1-thiophen-3-ylmethanamine
CID 65104923
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
(1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
CID 97232548
(1S)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
CID 97232550
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine
CID 99776814
1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119332175
1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
CID 106434786
2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 106434757
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of (1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol (CID 100680717) is (1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for (1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for (1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol is C[C@H](NC[C@H](O)c1ccsc1)C1(c2ccccc2)CCCC1.
What is the InChIKey of (1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol?
The InChIKey is IAWLZWWTFKQTMF-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H25NOS/c1-15(20-13-18(21)16-9-12-22-14-16)19(10-5-6-11-19)17-7-3-2-4-8-17/h2-4,7-9,12,14-15,18,20-21H,5-6,10-11,13H2,1H3/t15-,18-/m0/s1.
What are the key properties of (1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol?
(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol has a molecular weight of 315.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 100680717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).