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

C22H27ClN2O2 — CID 11165102

IUPAC(1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCC(Cc1c[nH]c2c(OC(C)C)cccc12)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C22H27ClN2O2/c1-14(2)27-21-9-5-8-19-17(12-25-22(19)21)10-15(3)24-13-20(26)16-6-4-7-18(23)11-16/h4-9,11-12,14-15,20,24-26H,10,13H2,1-3H3/t15?,20-/m0/s1
InChIKeyULESUYXKBCQNSS-MBABXSBOSA-N
MW386.92 g/mol
LogP4.86
Rot. Bonds8

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

(1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol (PubChem CID 11165102) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol
PubChem CID11165102
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCC(Cc1c[nH]c2c(OC(C)C)cccc12)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C22H27ClN2O2/c1-14(2)27-21-9-5-8-19-17(12-25-22(19)21)10-15(3)24-13-20(26)16-6-4-7-18(23)11-16/h4-9,11-12,14-15,20,24-26H,10,13H2,1-3H3/t15?,20-/m0/s1
InChIKeyULESUYXKBCQNSS-MBABXSBOSA-N
XLogP4.86
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol (CID 11165102) is (1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol is CC(Cc1c[nH]c2c(OC(C)C)cccc12)NC[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The InChIKey is ULESUYXKBCQNSS-MBABXSBOSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-14(2)27-21-9-5-8-19-17(12-25-22(19)21)10-15(3)24-13-20(26)16-6-4-7-18(23)11-16/h4-9,11-12,14-15,20,24-26H,10,13H2,1-3H3/t15?,20-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol has a molecular weight of 386.92 g/mol, XLogP of 4.86, 8 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-propan-2-yloxy-1H-indol-3-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 11165102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).