(1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine

C28H32Cl2N2 — CID 124824769

IUPAC(1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine
SMILESC[C@@H](NCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H32Cl2N2/c1-18(28-12-20-8-21(13-28)10-22(9-20)14-28)31-15-23-17-32(27-5-3-2-4-24(23)27)16-19-6-7-25(29)26(30)11-19/h2-7,11,17-18,20-22,31H,8-10,12-16H2,1H3/t18-,20?,21?,22?,28?/m1/s1
InChIKeyLRYYTUZISDYSDZ-KVLZVTGASA-N
MW467.48 g/mol
LogP7.69
Rot. Bonds6

About (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine

(1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine (PubChem CID 124824769) has the molecular formula C28H32Cl2N2 and a molecular weight of 467.48 g/mol. Its IUPAC name is (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine
PubChem CID124824769
Molecular FormulaC28H32Cl2N2
Molecular Weight467.48 g/mol
Exact Mass466.19
IUPAC Name(1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine
SMILESC[C@@H](NCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H32Cl2N2/c1-18(28-12-20-8-21(13-28)10-22(9-20)14-28)31-15-23-17-32(27-5-3-2-4-24(23)27)16-19-6-7-25(29)26(30)11-19/h2-7,11,17-18,20-22,31H,8-10,12-16H2,1H3/t18-,20?,21?,22?,28?/m1/s1
InChIKeyLRYYTUZISDYSDZ-KVLZVTGASA-N
XLogP7.69
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.48
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

(1S)-1-(1-adamantyl)-N-[(1-benzylindol-3-yl)methyl]ethanamine
CID 124825324
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine
CID 124895823
(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826792
(1R)-1-(1-adamantyl)-N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124823977
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895925
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
CID 124826287
(1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 27088604
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823717
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124895316
2-[[1-(1-adamantyl)ethylamino]methyl]aniline
CID 66387822
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine (CID 124824769) is (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine is C[C@@H](NCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine?
The InChIKey is LRYYTUZISDYSDZ-KVLZVTGASA-N. The full InChI is InChI=1S/C28H32Cl2N2/c1-18(28-12-20-8-21(13-28)10-22(9-20)14-28)31-15-23-17-32(27-5-3-2-4-24(23)27)16-19-6-7-25(29)26(30)11-19/h2-7,11,17-18,20-22,31H,8-10,12-16H2,1H3/t18-,20?,21?,22?,28?/m1/s1.
What are the key properties of (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine?
(1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine has a molecular weight of 467.48 g/mol, XLogP of 7.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine is sourced from PubChem (CID 124824769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).