N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine

C26H23Cl2N3 — CID 124895316

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
SMILESClc1ccc(Cn2cc(CNCCc3c[nH]c4ccccc34)c3ccccc32)cc1Cl
InChIInChI=1S/C26H23Cl2N3/c27-23-10-9-18(13-24(23)28)16-31-17-20(22-6-2-4-8-26(22)31)14-29-12-11-19-15-30-25-7-3-1-5-21(19)25/h1-10,13,15,17,29-30H,11-12,14,16H2
InChIKeyGUROEFUQUPVLFK-UHFFFAOYSA-N
MW448.40 g/mol
LogP6.81
Rot. Bonds7

About N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine

N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 124895316) has the molecular formula C26H23Cl2N3 and a molecular weight of 448.40 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
PubChem CID124895316
Molecular FormulaC26H23Cl2N3
Molecular Weight448.40 g/mol
Exact Mass447.13
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
SMILESClc1ccc(Cn2cc(CNCCc3c[nH]c4ccccc34)c3ccccc32)cc1Cl
InChIInChI=1S/C26H23Cl2N3/c27-23-10-9-18(13-24(23)28)16-31-17-20(22-6-2-4-8-26(22)31)14-29-12-11-19-15-30-25-7-3-1-5-21(19)25/h1-10,13,15,17,29-30H,11-12,14,16H2
InChIKeyGUROEFUQUPVLFK-UHFFFAOYSA-N
XLogP6.81
TPSA32.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.40
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124783349
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
CID 124826287
(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826792
2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
CID 171155113
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895925
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine
CID 124895823
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol
CID 86183911
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine (CID 124895316) is N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine is Clc1ccc(Cn2cc(CNCCc3c[nH]c4ccccc34)c3ccccc32)cc1Cl.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is GUROEFUQUPVLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3/c27-23-10-9-18(13-24(23)28)16-31-17-20(22-6-2-4-8-26(22)31)14-29-12-11-19-15-30-25-7-3-1-5-21(19)25/h1-10,13,15,17,29-30H,11-12,14,16H2.
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine has a molecular weight of 448.40 g/mol, XLogP of 6.81, 7 rotatable bonds, 2 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]-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 124895316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).