1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine

C13H17ClN2 — CID 83868316

IUPAC1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine
SMILESCc1ccc(Cl)c2c(C(C)N)c(C)n(C)c12
InChIInChI=1S/C13H17ClN2/c1-7-5-6-10(14)12-11(8(2)15)9(3)16(4)13(7)12/h5-6,8H,15H2,1-4H3
InChIKeyLUDPDMVYVCEMKL-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.47
Rot. Bonds1

About 1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine

1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine (PubChem CID 83868316) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine
PubChem CID83868316
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine
SMILESCc1ccc(Cl)c2c(C(C)N)c(C)n(C)c12
InChIInChI=1S/C13H17ClN2/c1-7-5-6-10(14)12-11(8(2)15)9(3)16(4)13(7)12/h5-6,8H,15H2,1-4H3
InChIKeyLUDPDMVYVCEMKL-UHFFFAOYSA-N
XLogP3.47
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine
CID 83868295
1,2,3,7-tetramethylindol-4-amine
CID 118600284
1,4,5,8,9-pentamethylcarbazole
CID 617026
3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one
CID 84626184
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910
2-(1-aminoethyl)-4-chloro-3-methylphenol
CID 84660349
3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine
CID 82497735
(1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol
CID 131115673
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine
CID 83868421
(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride
CID 171215578

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine?
The IUPAC name of 1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine (CID 83868316) is 1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine is Cc1ccc(Cl)c2c(C(C)N)c(C)n(C)c12.
What is the InChIKey of 1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine?
The InChIKey is LUDPDMVYVCEMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-7-5-6-10(14)12-11(8(2)15)9(3)16(4)13(7)12/h5-6,8H,15H2,1-4H3.
What are the key properties of 1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine?
1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine has a molecular weight of 236.75 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine is sourced from PubChem (CID 83868316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).