1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate

C14H17ClN2O2 — CID 174600351

IUPAC1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate
SMILESCC(OC=O)c1c[nH]c2c(CN(C)C)cc(Cl)cc12
InChIInChI=1S/C14H17ClN2O2/c1-9(19-8-18)13-6-16-14-10(7-17(2)3)4-11(15)5-12(13)14/h4-6,8-9,16H,7H2,1-3H3
InChIKeyUSVNTWWVFMMQTB-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.12
Rot. Bonds5

About 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate

1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate (PubChem CID 174600351) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate.

Molecular Properties

Compound Name1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate
PubChem CID174600351
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate
SMILESCC(OC=O)c1c[nH]c2c(CN(C)C)cc(Cl)cc12
InChIInChI=1S/C14H17ClN2O2/c1-9(19-8-18)13-6-16-14-10(7-17(2)3)4-11(15)5-12(13)14/h4-6,8-9,16H,7H2,1-3H3
InChIKeyUSVNTWWVFMMQTB-UHFFFAOYSA-N
XLogP3.12
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-7-nitro-1H-indol-3-yl)ethyl formate
CID 174599507
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate
CID 174446566
1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate
CID 174951490
2-(5,7-dichloro-1H-indol-3-yl)propanoic acid
CID 14535950
1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate
CID 174551857
1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate
CID 174351169
1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate
CID 174951499
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775
1-(4-chloro-6-phenylmethoxy-1H-indol-3-yl)ethyl formate
CID 174389562
1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine
CID 168889914
5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole
CID 106985139
1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate
CID 175308144

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate?
The IUPAC name of 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate (CID 174600351) is 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate.
What is the SMILES notation for 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate?
The canonical SMILES for 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate is CC(OC=O)c1c[nH]c2c(CN(C)C)cc(Cl)cc12.
What is the InChIKey of 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate?
The InChIKey is USVNTWWVFMMQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(19-8-18)13-6-16-14-10(7-17(2)3)4-11(15)5-12(13)14/h4-6,8-9,16H,7H2,1-3H3.
What are the key properties of 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate?
1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate has a molecular weight of 280.75 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate is sourced from PubChem (CID 174600351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).