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

C24H23ClN2 — CID 124816345

IUPACN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H23ClN2/c1-18-6-8-19(9-7-18)14-26-15-21-17-27(24-5-3-2-4-23(21)24)16-20-10-12-22(25)13-11-20/h2-13,17,26H,14-16H2,1H3
InChIKeySBFBCKJCWWYKAJ-UHFFFAOYSA-N
MW374.92 g/mol
LogP5.94
Rot. Bonds6

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

N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine (PubChem CID 124816345) has the molecular formula C24H23ClN2 and a molecular weight of 374.92 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
PubChem CID124816345
Molecular FormulaC24H23ClN2
Molecular Weight374.92 g/mol
Exact Mass374.15
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H23ClN2/c1-18-6-8-19(9-7-18)14-26-15-21-17-27(24-5-3-2-4-23(21)24)16-20-10-12-22(25)13-11-20/h2-13,17,26H,14-16H2,1H3
InChIKeySBFBCKJCWWYKAJ-UHFFFAOYSA-N
XLogP5.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.92
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine
CID 124812324
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 124825576
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide
CID 41108967
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 124783741
(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826792

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine (CID 124816345) is N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is SBFBCKJCWWYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2/c1-18-6-8-19(9-7-18)14-26-15-21-17-27(24-5-3-2-4-23(21)24)16-20-10-12-22(25)13-11-20/h2-13,17,26H,14-16H2,1H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine?
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 374.92 g/mol, XLogP of 5.94, 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-(4-methylphenyl)methanamine is sourced from PubChem (CID 124816345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).