(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine

C26H26Cl2N2 — CID 124823338

IUPAC(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
SMILESC[C@H](CCc1ccccc1)NCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C26H26Cl2N2/c1-19(14-15-20-8-3-2-4-9-20)29-16-21-17-30(26-13-6-5-10-22(21)26)18-23-24(27)11-7-12-25(23)28/h2-13,17,19,29H,14-16,18H2,1H3/t19-/m1/s1
InChIKeyTULRYQWLWUQZRZ-LJQANCHMSA-N
MW437.41 g/mol
LogP7.11
Rot. Bonds8

About (2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine

(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine (PubChem CID 124823338) has the molecular formula C26H26Cl2N2 and a molecular weight of 437.41 g/mol. Its IUPAC name is (2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
PubChem CID124823338
Molecular FormulaC26H26Cl2N2
Molecular Weight437.41 g/mol
Exact Mass436.15
IUPAC Name(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
SMILESC[C@H](CCc1ccccc1)NCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C26H26Cl2N2/c1-19(14-15-20-8-3-2-4-9-20)29-16-21-17-30(26-13-6-5-10-22(21)26)18-23-24(27)11-7-12-25(23)28/h2-13,17,19,29H,14-16,18H2,1H3/t19-/m1/s1
InChIKeyTULRYQWLWUQZRZ-LJQANCHMSA-N
XLogP7.11
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 ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440
(2S)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124822546
(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826737
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783457
(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826510
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine
CID 124824299
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823717
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
CID 124895932

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine?
The IUPAC name of (2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine (CID 124823338) is (2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for (2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine?
The canonical SMILES for (2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine is C[C@H](CCc1ccccc1)NCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of (2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine?
The InChIKey is TULRYQWLWUQZRZ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26Cl2N2/c1-19(14-15-20-8-3-2-4-9-20)29-16-21-17-30(26-13-6-5-10-22(21)26)18-23-24(27)11-7-12-25(23)28/h2-13,17,19,29H,14-16,18H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine?
(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine has a molecular weight of 437.41 g/mol, XLogP of 7.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 124823338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).