2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine

C13H17ClN2 — CID 116907436

IUPAC2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
SMILESCN(C)C(CCl)c1cn(C)c2ccccc12
InChIInChI=1S/C13H17ClN2/c1-15(2)13(8-14)11-9-16(3)12-7-5-4-6-10(11)12/h4-7,9,13H,8H2,1-3H3
InChIKeyDLOHSAATUJZJPQ-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine

2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine (PubChem CID 116907436) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
PubChem CID116907436
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
SMILESCN(C)C(CCl)c1cn(C)c2ccccc12
InChIInChI=1S/C13H17ClN2/c1-15(2)13(8-14)11-9-16(3)12-7-5-4-6-10(11)12/h4-7,9,13H,8H2,1-3H3
InChIKeyDLOHSAATUJZJPQ-UHFFFAOYSA-N
XLogP3.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol
CID 116908811
1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
CID 116915219
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
1-methyl-3-propan-2-ylindole
CID 10942942
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 90490919
3-(1-chloroethyl)-1-methylindole
CID 174876256
N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021
1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine
CID 116908531
N'-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90490981
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
1-(1-methylindol-3-yl)-2-sulfanylethanol
CID 116830001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine?
The IUPAC name of 2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine (CID 116907436) is 2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine?
The canonical SMILES for 2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine is CN(C)C(CCl)c1cn(C)c2ccccc12.
What is the InChIKey of 2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine?
The InChIKey is DLOHSAATUJZJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-15(2)13(8-14)11-9-16(3)12-7-5-4-6-10(11)12/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine?
2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine has a molecular weight of 236.75 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine is sourced from PubChem (CID 116907436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).