N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine

C26H28Cl2N2 — CID 124895823

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine
SMILESClc1ccc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)c3ccccc32)cc1Cl
InChIInChI=1S/C26H28Cl2N2/c27-23-6-5-17(10-24(23)28)15-30-16-21(22-3-1-2-4-25(22)30)14-29-26-11-18-7-19(12-26)9-20(8-18)13-26/h1-6,10,16,18-20,29H,7-9,11-15H2
InChIKeySTRYICKHSYDZAW-UHFFFAOYSA-N
MW439.43 g/mol
LogP7.05
Rot. Bonds5

About N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine

N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine (PubChem CID 124895823) has the molecular formula C26H28Cl2N2 and a molecular weight of 439.43 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine
PubChem CID124895823
Molecular FormulaC26H28Cl2N2
Molecular Weight439.43 g/mol
Exact Mass438.16
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine
SMILESClc1ccc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)c3ccccc32)cc1Cl
InChIInChI=1S/C26H28Cl2N2/c27-23-6-5-17(10-24(23)28)15-30-16-21(22-3-1-2-4-25(22)30)14-29-26-11-18-7-19(12-26)9-20(8-18)13-26/h1-6,10,16,18-20,29H,7-9,11-15H2
InChIKeySTRYICKHSYDZAW-UHFFFAOYSA-N
XLogP7.05
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.43
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine with MolForge

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Related Compounds

(1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine
CID 124824769
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895925
(3S,5R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-3,5-dimethyladamantan-1-amine
CID 124911801
(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826792
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
CID 124826287
(1S)-1-(1-adamantyl)-N-[(1-benzylindol-3-yl)methyl]ethanamine
CID 124825324
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124895316
N-[(2-chlorophenyl)methyl]adamantan-1-amine
CID 4719217
(3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine
CID 124805468
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
CID 25031483
N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine
CID 2852735
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895563

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine (CID 124895823) is N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine is Clc1ccc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)c3ccccc32)cc1Cl.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine?
The InChIKey is STRYICKHSYDZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2/c27-23-6-5-17(10-24(23)28)15-30-16-21(22-3-1-2-4-25(22)30)14-29-26-11-18-7-19(12-26)9-20(8-18)13-26/h1-6,10,16,18-20,29H,7-9,11-15H2.
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine?
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine has a molecular weight of 439.43 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 124895823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).