(1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol

C26H27ClN2O2 — CID 11419142

IUPAC(1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCC(Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C26H27ClN2O2/c1-18(28-16-24(30)20-9-5-10-22(27)14-20)13-21-15-29-26-23(21)11-6-12-25(26)31-17-19-7-3-2-4-8-19/h2-12,14-15,18,24,28-30H,13,16-17H2,1H3/t18?,24-/m0/s1
InChIKeyYZFMZKWJROUPGJ-LUTIACGYSA-N
MW434.97 g/mol
LogP5.65
Rot. Bonds9

About (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol

(1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol (PubChem CID 11419142) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
PubChem CID11419142
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCC(Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C26H27ClN2O2/c1-18(28-16-24(30)20-9-5-10-22(27)14-20)13-21-15-29-26-23(21)11-6-12-25(26)31-17-19-7-3-2-4-8-19/h2-12,14-15,18,24,28-30H,13,16-17H2,1H3/t18?,24-/m0/s1
InChIKeyYZFMZKWJROUPGJ-LUTIACGYSA-N
XLogP5.65
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol with MolForge

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Related Compounds

Rafabegron
CID 5493324
2-(7-methoxy-1H-indol-3-yl)ethan-1-amine
CID 17087
3-[(2S)-2-amino-3-({6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10194362
3-[(2S)-2-amino-3-({2-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10237750
7-Benzyloxytryptamine
CID 260806
(3-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-1H-indol-7-yloxy)-acetic acid
CID 6916441
(R)-1-(3-Chloro-phenyl)-2-[2-(7-methoxy-1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 9906822
(R)-1-(3-Chloro-phenyl)-2-[2-(7-ethoxy-1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11199616
(3-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-1H-indol-7-yloxy)-acetic acid methyl ester
CID 11373418
7-Benzyloxygramine
CID 260807
(R)-1-((R)-3-Chloro-phenyl)-2-[2-(7-methoxy-1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11268355
(2-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-ethyl}-1H-indol-7-yloxy)-acetic acid
CID 44303556

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol (CID 11419142) is (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol is CC(Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The InChIKey is YZFMZKWJROUPGJ-LUTIACGYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-18(28-16-24(30)20-9-5-10-22(27)14-20)13-21-15-29-26-23(21)11-6-12-25(26)31-17-19-7-3-2-4-8-19/h2-12,14-15,18,24,28-30H,13,16-17H2,1H3/t18?,24-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol has a molecular weight of 434.97 g/mol, XLogP of 5.65, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 11419142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).