N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine

C23H21ClN2 — CID 124895180

IUPACN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
SMILESClc1ccc(Cn2cc(CNCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H21ClN2/c24-21-12-10-19(11-13-21)16-26-17-20(22-8-4-5-9-23(22)26)15-25-14-18-6-2-1-3-7-18/h1-13,17,25H,14-16H2
InChIKeyCFAVYXSJXVOCBM-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.63
Rot. Bonds6

About N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine

N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine (PubChem CID 124895180) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
PubChem CID124895180
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
SMILESClc1ccc(Cn2cc(CNCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H21ClN2/c24-21-12-10-19(11-13-21)16-26-17-20(22-8-4-5-9-23(22)26)15-25-14-18-6-2-1-3-7-18/h1-13,17,25H,14-16H2
InChIKeyCFAVYXSJXVOCBM-UHFFFAOYSA-N
XLogP5.63
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 124818061
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 124825576
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 124783741
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine (CID 124895180) is N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine is Clc1ccc(Cn2cc(CNCc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine?
The InChIKey is CFAVYXSJXVOCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c24-21-12-10-19(11-13-21)16-26-17-20(22-8-4-5-9-23(22)26)15-25-14-18-6-2-1-3-7-18/h1-13,17,25H,14-16H2.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine?
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine has a molecular weight of 360.89 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 124895180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).