(2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine

C21H25ClN2 — CID 41449135

IUPAC(2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1c(C)n(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H25ClN2/c1-4-15(2)23-13-19-16(3)24(21-12-8-6-10-18(19)21)14-17-9-5-7-11-20(17)22/h5-12,15,23H,4,13-14H2,1-3H3/t15-/m1/s1
InChIKeySRKTZPNYFXBENT-OAHLLOKOSA-N
MW340.90 g/mol
LogP5.54
Rot. Bonds6

About (2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine

(2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine (PubChem CID 41449135) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is (2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine
PubChem CID41449135
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC Name(2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1c(C)n(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H25ClN2/c1-4-15(2)23-13-19-16(3)24(21-12-8-6-10-18(19)21)14-17-9-5-7-11-20(17)22/h5-12,15,23H,4,13-14H2,1-3H3/t15-/m1/s1
InChIKeySRKTZPNYFXBENT-OAHLLOKOSA-N
XLogP5.54
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.90
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine
CID 17157794
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine;hydrochloride
CID 17157793
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine
CID 17157762
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-1-amine
CID 17157200
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211445
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17157525
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17159795
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-(4-fluorophenyl)ethanamine
CID 17158091
1-benzyl-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]piperidin-4-amine;dihydrochloride
CID 17159480
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine
CID 17211023
1-(1,3-benzodioxol-5-yl)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]methanamine;hydrochloride
CID 17157830
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 17210334

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine?
The IUPAC name of (2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine (CID 41449135) is (2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine is CC[C@@H](C)NCc1c(C)n(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of (2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine?
The InChIKey is SRKTZPNYFXBENT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25ClN2/c1-4-15(2)23-13-19-16(3)24(21-12-8-6-10-18(19)21)14-17-9-5-7-11-20(17)22/h5-12,15,23H,4,13-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine?
(2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine has a molecular weight of 340.90 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 41449135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).