(1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine

C26H26Cl2N2 — CID 41448973

IUPAC(1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
SMILESCCC[C@@H](NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1
InChIInChI=1S/C26H26Cl2N2/c1-2-8-25(19-9-4-3-5-10-19)29-16-21-18-30(26-12-7-6-11-23(21)26)17-20-13-14-22(27)15-24(20)28/h3-7,9-15,18,25,29H,2,8,16-17H2,1H3/t25-/m1/s1
InChIKeyFCSJJEJGTDIWSH-RUZDIDTESA-N
MW437.41 g/mol
LogP7.63
Rot. Bonds8

About (1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine

(1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine (PubChem CID 41448973) has the molecular formula C26H26Cl2N2 and a molecular weight of 437.41 g/mol. Its IUPAC name is (1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name(1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
PubChem CID41448973
Molecular FormulaC26H26Cl2N2
Molecular Weight437.41 g/mol
Exact Mass436.15
IUPAC Name(1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
SMILESCCC[C@@H](NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1
InChIInChI=1S/C26H26Cl2N2/c1-2-8-25(19-9-4-3-5-10-19)29-16-21-18-30(26-12-7-6-11-23(21)26)17-20-13-14-22(27)15-24(20)28/h3-7,9-15,18,25,29H,2,8,16-17H2,1H3/t25-/m1/s1
InChIKeyFCSJJEJGTDIWSH-RUZDIDTESA-N
XLogP7.63
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.41
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
CID 124822705
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
CID 17159719
(1R)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylbutan-1-amine
CID 124823989
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208320
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628493
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 17158619
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
ethyl N-[(1S)-3-[(2Z)-2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]carbamate
CID 126003342
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine?
The IUPAC name of (1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine (CID 41448973) is (1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for (1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine?
The canonical SMILES for (1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine is CCC[C@@H](NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1.
What is the InChIKey of (1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine?
The InChIKey is FCSJJEJGTDIWSH-RUZDIDTESA-N. The full InChI is InChI=1S/C26H26Cl2N2/c1-2-8-25(19-9-4-3-5-10-19)29-16-21-18-30(26-12-7-6-11-23(21)26)17-20-13-14-22(27)15-24(20)28/h3-7,9-15,18,25,29H,2,8,16-17H2,1H3/t25-/m1/s1.
What are the key properties of (1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine?
(1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine has a molecular weight of 437.41 g/mol, XLogP of 7.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 41448973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).