N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine

C23H27ClN2 — CID 124895563

IUPACN-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
SMILESClc1cccc(Cn2cc(CNC3CCCCCC3)c3ccccc32)c1
InChIInChI=1S/C23H27ClN2/c24-20-9-7-8-18(14-20)16-26-17-19(22-12-5-6-13-23(22)26)15-25-21-10-3-1-2-4-11-21/h5-9,12-14,17,21,25H,1-4,10-11,15-16H2
InChIKeyMSHYJLVANUEGDV-UHFFFAOYSA-N
MW366.94 g/mol
LogP6.16
Rot. Bonds5

About N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine

N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine (PubChem CID 124895563) has the molecular formula C23H27ClN2 and a molecular weight of 366.94 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
PubChem CID124895563
Molecular FormulaC23H27ClN2
Molecular Weight366.94 g/mol
Exact Mass366.19
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
SMILESClc1cccc(Cn2cc(CNC3CCCCCC3)c3ccccc32)c1
InChIInChI=1S/C23H27ClN2/c24-20-9-7-8-18(14-20)16-26-17-19(22-12-5-6-13-23(22)26)15-25-21-10-3-1-2-4-11-21/h5-9,12-14,17,21,25H,1-4,10-11,15-16H2
InChIKeyMSHYJLVANUEGDV-UHFFFAOYSA-N
XLogP6.16
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.94
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine with MolForge

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Related Compounds

N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895925
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124895108
N-[(1-ethylindol-3-yl)methyl]cyclooctanamine
CID 29228709
1-(azepan-1-yl)-2-[1-[(3-chlorophenyl)methyl]indol-3-yl]ethanone
CID 12004832
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol
CID 124786059
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828
N',N'-dibutyl-N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]propane-1,3-diamine
CID 124823651
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
CID 66402698
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine (CID 124895563) is N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine is Clc1cccc(Cn2cc(CNC3CCCCCC3)c3ccccc32)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine?
The InChIKey is MSHYJLVANUEGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2/c24-20-9-7-8-18(14-20)16-26-17-19(22-12-5-6-13-23(22)26)15-25-21-10-3-1-2-4-11-21/h5-9,12-14,17,21,25H,1-4,10-11,15-16H2.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine?
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine has a molecular weight of 366.94 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine is sourced from PubChem (CID 124895563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).