1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol

C21H25Cl2N3O — CID 17159719

IUPAC1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
SMILESCC(O)CNCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H25Cl2N3O/c1-15(27)11-24-8-9-25-12-17-14-26(21-5-3-2-4-19(17)21)13-16-6-7-18(22)10-20(16)23/h2-7,10,14-15,24-25,27H,8-9,11-13H2,1H3
InChIKeyQFZAYTBGXIMLSG-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.06
Rot. Bonds9

About 1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol

1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol (PubChem CID 17159719) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is 1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
PubChem CID17159719
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC Name1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
SMILESCC(O)CNCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H25Cl2N3O/c1-15(27)11-24-8-9-25-12-17-14-26(21-5-3-2-4-19(17)21)13-16-6-7-18(22)10-20(16)23/h2-7,10,14-15,24-25,27H,8-9,11-13H2,1H3
InChIKeyQFZAYTBGXIMLSG-UHFFFAOYSA-N
XLogP4.06
TPSA49.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826737
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208320
(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826792
(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826510
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
(1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
CID 41448973
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 124869723
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628493
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 17158619
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine
CID 124824977

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol (CID 17159719) is 1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol is CC(O)CNCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol?
The InChIKey is QFZAYTBGXIMLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O/c1-15(27)11-24-8-9-25-12-17-14-26(21-5-3-2-4-19(17)21)13-16-6-7-18(22)10-20(16)23/h2-7,10,14-15,24-25,27H,8-9,11-13H2,1H3.
What are the key properties of 1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol?
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol has a molecular weight of 406.36 g/mol, XLogP of 4.06, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol is sourced from PubChem (CID 17159719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).