2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine

C26H30N2O2 — CID 152693657

IUPAC2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine
SMILESCc1c(C2CCC(c3ccccc3)(N(C)C)C(C3=COCO3)C2)[nH]c2ccccc12
InChIInChI=1S/C26H30N2O2/c1-18-21-11-7-8-12-23(21)27-25(18)19-13-14-26(28(2)3,20-9-5-4-6-10-20)22(15-19)24-16-29-17-30-24/h4-12,16,19,22,27H,13-15,17H2,1-3H3
InChIKeyZQBWOJCBPMZEME-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.66
Rot. Bonds4

About 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine

2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine (PubChem CID 152693657) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine
PubChem CID152693657
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine
SMILESCc1c(C2CCC(c3ccccc3)(N(C)C)C(C3=COCO3)C2)[nH]c2ccccc12
InChIInChI=1S/C26H30N2O2/c1-18-21-11-7-8-12-23(21)27-25(18)19-13-14-26(28(2)3,20-9-5-4-6-10-20)22(15-19)24-16-29-17-30-24/h4-12,16,19,22,27H,13-15,17H2,1-3H3
InChIKeyZQBWOJCBPMZEME-UHFFFAOYSA-N
XLogP5.66
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine with MolForge

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Related Compounds

1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine
CID 66782954
2-cyclobutyl-3-methyl-1H-indole
CID 91217757
3-methyl-2-(oxan-4-yl)-1H-indole
CID 156814176
2-cyclononyl-3-methyl-1H-indole
CID 173177369
N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine
CID 44513166
methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine
CID 161129194
3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride
CID 24953997
2-[4-(azetidin-1-yl)-4-phenylcyclohexyl]-3-methyl-1H-indole;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 24952595
N-[4-(dimethylamino)-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexyl]-N-methylacetamide
CID 158979433
5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione
CID 139630245
2-[4-(dimethylamino)-4-phenylcyclohexyl]-3-methyl-1H-indole-5-carbonitrile;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 24953642
N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine
CID 24953651

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine?
The IUPAC name of 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine (CID 152693657) is 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine?
The canonical SMILES for 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine is Cc1c(C2CCC(c3ccccc3)(N(C)C)C(C3=COCO3)C2)[nH]c2ccccc12.
What is the InChIKey of 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine?
The InChIKey is ZQBWOJCBPMZEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-18-21-11-7-8-12-23(21)27-25(18)19-13-14-26(28(2)3,20-9-5-4-6-10-20)22(15-19)24-16-29-17-30-24/h4-12,16,19,22,27H,13-15,17H2,1-3H3.
What are the key properties of 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine?
2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine has a molecular weight of 402.54 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxol-4-yl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 152693657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).