(1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol

C19H23FN2O2 — CID 110155484

IUPAC(1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol
SMILESCN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2F)C[C@H]1N
InChIInChI=1S/C19H23FN2O2/c1-22(12-13-7-3-2-4-8-13)18-15(21)11-17(19(18)23)24-16-10-6-5-9-14(16)20/h2-10,15,17-19,23H,11-12,21H2,1H3/t15-,17-,18+,19+/m1/s1
InChIKeyYUJZLCNTOWOBKW-YSHGAJCASA-N
MW330.40 g/mol
LogP2.17
Rot. Bonds5

About (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol

(1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol (PubChem CID 110155484) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol
PubChem CID110155484
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol
SMILESCN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2F)C[C@H]1N
InChIInChI=1S/C19H23FN2O2/c1-22(12-13-7-3-2-4-8-13)18-15(21)11-17(19(18)23)24-16-10-6-5-9-14(16)20/h2-10,15,17-19,23H,11-12,21H2,1H3/t15-,17-,18+,19+/m1/s1
InChIKeyYUJZLCNTOWOBKW-YSHGAJCASA-N
XLogP2.17
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol with MolForge

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Related Compounds

2-[2-[[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-3-hydroxycyclopentyl]amino]-2-oxoethyl]benzoic acid
CID 110160261
(1R,2S,3R,5R)-3-amino-5-(4-fluorophenoxy)-2-[(2-methoxyphenyl)methyl-methylamino]cyclopentan-1-ol
CID 110155470
(1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol
CID 110155488
(1R,2S,3R,5R)-3-amino-2-[methyl(2-phenylethyl)amino]-5-(3-methyl-5-propan-2-ylphenoxy)cyclopentan-1-ol
CID 110146179
(1R,2S,3R,6R)-3-amino-2-[methyl(2-phenylethyl)amino]-6-phenoxycyclohexan-1-ol
CID 110155501
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43293926
N-[(1R,2S,3R,4R)-4-(2-chlorophenoxy)-3-hydroxy-2-[(4-methoxyphenyl)methyl-methylamino]cyclopentyl]acetamide
CID 110155509
2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 62704875
2-amino-N-[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]cyclopentyl]acetamide
CID 110155534
N-[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-2-pyridin-3-ylacetamide
CID 110158519
(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol
CID 67880117
3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117038263

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol?
The IUPAC name of (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol (CID 110155484) is (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol is CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2F)C[C@H]1N.
What is the InChIKey of (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol?
The InChIKey is YUJZLCNTOWOBKW-YSHGAJCASA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-22(12-13-7-3-2-4-8-13)18-15(21)11-17(19(18)23)24-16-10-6-5-9-14(16)20/h2-10,15,17-19,23H,11-12,21H2,1H3/t15-,17-,18+,19+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol?
(1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol has a molecular weight of 330.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-amino-2-[benzyl(methyl)amino]-5-(2-fluorophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 110155484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).