3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole

C33H37N3O — CID 158726365

IUPAC3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole
SMILESCN(C)C1(c2ccccc2)CC=C(c2[nH]c3ccccc3c2CCCO)CC1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C25H30N2O.C8H7N/c1-27(2)25(20-9-4-3-5-10-20)16-14-19(15-17-25)24-22(12-8-18-28)21-11-6-7-13-23(21)26-24;1-2-4-8-7(3-1)5-6-9-8/h3-7,9-11,13-14,26,28H,8,12,15-18H2,1-2H3;1-6,9H
InChIKeyIKNXVPLCJMJZIV-UHFFFAOYSA-N
MW491.68 g/mol
LogP7.29
Rot. Bonds6

About 3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole

3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole (PubChem CID 158726365) has the molecular formula C33H37N3O and a molecular weight of 491.68 g/mol. Its IUPAC name is 3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole.

Molecular Properties

Compound Name3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole
PubChem CID158726365
Molecular FormulaC33H37N3O
Molecular Weight491.68 g/mol
Exact Mass491.29
IUPAC Name3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole
SMILESCN(C)C1(c2ccccc2)CC=C(c2[nH]c3ccccc3c2CCCO)CC1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C25H30N2O.C8H7N/c1-27(2)25(20-9-4-3-5-10-20)16-14-19(15-17-25)24-22(12-8-18-28)21-11-6-7-13-23(21)26-24;1-2-4-8-7(3-1)5-6-9-8/h3-7,9-11,13-14,26,28H,8,12,15-18H2,1-2H3;1-6,9H
InChIKeyIKNXVPLCJMJZIV-UHFFFAOYSA-N
XLogP7.29
TPSA55.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 57.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole?
The IUPAC name of 3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole (CID 158726365) is 3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole.
What is the SMILES notation for 3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole?
The canonical SMILES for 3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole is CN(C)C1(c2ccccc2)CC=C(c2[nH]c3ccccc3c2CCCO)CC1.c1ccc2[nH]ccc2c1.
What is the InChIKey of 3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole?
The InChIKey is IKNXVPLCJMJZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O.C8H7N/c1-27(2)25(20-9-4-3-5-10-20)16-14-19(15-17-25)24-22(12-8-18-28)21-11-6-7-13-23(21)26-24;1-2-4-8-7(3-1)5-6-9-8/h3-7,9-11,13-14,26,28H,8,12,15-18H2,1-2H3;1-6,9H.
What are the key properties of 3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole?
3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole has a molecular weight of 491.68 g/mol, XLogP of 7.29, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole is sourced from PubChem (CID 158726365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).