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

C23H26Cl2N2 — CID 124895925

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
SMILESClc1ccc(Cn2cc(CNC3CCCCCC3)c3ccccc32)cc1Cl
InChIInChI=1S/C23H26Cl2N2/c24-21-12-11-17(13-22(21)25)15-27-16-18(20-9-5-6-10-23(20)27)14-26-19-7-3-1-2-4-8-19/h5-6,9-13,16,19,26H,1-4,7-8,14-15H2
InChIKeyVUULXSPPWRVZQL-UHFFFAOYSA-N
MW401.38 g/mol
LogP6.81
Rot. Bonds5

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

N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine (PubChem CID 124895925) has the molecular formula C23H26Cl2N2 and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
PubChem CID124895925
Molecular FormulaC23H26Cl2N2
Molecular Weight401.38 g/mol
Exact Mass400.15
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
SMILESClc1ccc(Cn2cc(CNC3CCCCCC3)c3ccccc32)cc1Cl
InChIInChI=1S/C23H26Cl2N2/c24-21-12-11-17(13-22(21)25)15-27-16-18(20-9-5-6-10-23(20)27)14-26-19-7-3-1-2-4-8-19/h5-6,9-13,16,19,26H,1-4,7-8,14-15H2
InChIKeyVUULXSPPWRVZQL-UHFFFAOYSA-N
XLogP6.81
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895563
N-[(1-ethylindol-3-yl)methyl]cyclooctanamine
CID 29228709
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine
CID 124895823
(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]hexan-1-amine
CID 124826287
(1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine
CID 124824769
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124895316
N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
CID 66402698
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
CID 25031483
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124895108

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine (CID 124895925) is N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine is Clc1ccc(Cn2cc(CNC3CCCCCC3)c3ccccc32)cc1Cl.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine?
The InChIKey is VUULXSPPWRVZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2/c24-21-12-11-17(13-22(21)25)15-27-16-18(20-9-5-6-10-23(20)27)14-26-19-7-3-1-2-4-8-19/h5-6,9-13,16,19,26H,1-4,7-8,14-15H2.
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine?
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine has a molecular weight of 401.38 g/mol, XLogP of 6.81, 5 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]cycloheptanamine is sourced from PubChem (CID 124895925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).