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

C22H26Cl2N2 — CID 124826287

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
SMILESCCCCCCNCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C22H26Cl2N2/c1-2-3-4-7-12-25-14-18-16-26(22-9-6-5-8-19(18)22)15-17-10-11-20(23)21(24)13-17/h5-6,8-11,13,16,25H,2-4,7,12,14-15H2,1H3
InChIKeySQCWKORFKQSRSZ-UHFFFAOYSA-N
MW389.37 g/mol
LogP6.67
Rot. Bonds9

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

N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine (PubChem CID 124826287) has the molecular formula C22H26Cl2N2 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
PubChem CID124826287
Molecular FormulaC22H26Cl2N2
Molecular Weight389.37 g/mol
Exact Mass388.15
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
SMILESCCCCCCNCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C22H26Cl2N2/c1-2-3-4-7-12-25-14-18-16-26(22-9-6-5-8-19(18)22)15-17-10-11-20(23)21(24)13-17/h5-6,8-11,13,16,25H,2-4,7,12,14-15H2,1H3
InChIKeySQCWKORFKQSRSZ-UHFFFAOYSA-N
XLogP6.67
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.37
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
(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]-2-(1H-indol-3-yl)ethanamine
CID 124895316
N',N'-dibutyl-N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]propane-1,3-diamine
CID 124823651
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 124825576
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895925
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine (CID 124826287) is N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine is CCCCCCNCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine?
The InChIKey is SQCWKORFKQSRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2/c1-2-3-4-7-12-25-14-18-16-26(22-9-6-5-8-19(18)22)15-17-10-11-20(23)21(24)13-17/h5-6,8-11,13,16,25H,2-4,7,12,14-15H2,1H3.
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine?
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine has a molecular weight of 389.37 g/mol, XLogP of 6.67, 9 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]hexan-1-amine is sourced from PubChem (CID 124826287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).