N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride

C23H29Cl3N2 — CID 17157722

IUPACN-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
SMILESCCCCCCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.Cl
InChIInChI=1S/C23H28Cl2N2.ClH/c1-2-3-4-5-8-13-26-15-19-17-27(23-10-7-6-9-21(19)23)16-18-11-12-20(24)14-22(18)25;/h6-7,9-12,14,17,26H,2-5,8,13,15-16H2,1H3;1H
InChIKeySLEMVKJNKRBTGJ-UHFFFAOYSA-N
MW439.86 g/mol
LogP7.48
Rot. Bonds10

About N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride

N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride (PubChem CID 17157722) has the molecular formula C23H29Cl3N2 and a molecular weight of 439.86 g/mol. Its IUPAC name is N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
PubChem CID17157722
Molecular FormulaC23H29Cl3N2
Molecular Weight439.86 g/mol
Exact Mass438.14
IUPAC NameN-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
SMILESCCCCCCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.Cl
InChIInChI=1S/C23H28Cl2N2.ClH/c1-2-3-4-5-8-13-26-15-19-17-27(23-10-7-6-9-21(19)23)16-18-11-12-20(24)14-22(18)25;/h6-7,9-12,14,17,26H,2-5,8,13,15-16H2,1H3;1H
InChIKeySLEMVKJNKRBTGJ-UHFFFAOYSA-N
XLogP7.48
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.86
LogP ≤ 57.48
H-Bond Donors ≤ 51
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-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
CID 124826287
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
CID 17159719
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208320
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]hexan-1-amine
CID 17157689
N',N'-dibutyl-N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]propane-1,3-diamine
CID 124823651
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine
CID 17157655
(1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
CID 41448973
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215302

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride?
The IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride (CID 17157722) is N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride.
What is the SMILES notation for N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride?
The canonical SMILES for N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride is CCCCCCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.Cl.
What is the InChIKey of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride?
The InChIKey is SLEMVKJNKRBTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2.ClH/c1-2-3-4-5-8-13-26-15-19-17-27(23-10-7-6-9-21(19)23)16-18-11-12-20(24)14-22(18)25;/h6-7,9-12,14,17,26H,2-5,8,13,15-16H2,1H3;1H.
What are the key properties of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride?
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride has a molecular weight of 439.86 g/mol, XLogP of 7.48, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride is sourced from PubChem (CID 17157722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).