1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole

C24H30N2O — CID 139899858

IUPAC1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
InChIInChI=1S/C24H30N2O/c1-20-18-22-8-4-5-9-24(22)26(20)19-21-10-12-23(13-11-21)27-17-16-25-14-6-2-3-7-15-25/h4-5,8-13,18H,2-3,6-7,14-17,19H2,1H3
InChIKeyKVVASRVFFIXBNV-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.25
Rot. Bonds6

About 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole

1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole (PubChem CID 139899858) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole.

Molecular Properties

Compound Name1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
PubChem CID139899858
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
InChIInChI=1S/C24H30N2O/c1-20-18-22-8-4-5-9-24(22)26(20)19-21-10-12-23(13-11-21)27-17-16-25-14-6-2-3-7-15-25/h4-5,8-13,18H,2-3,6-7,14-17,19H2,1H3
InChIKeyKVVASRVFFIXBNV-UHFFFAOYSA-N
XLogP5.25
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
CID 19829805
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613
9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole
CID 155678411
3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
CID 91000508
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
CID 140981808
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-methoxy-2-(4-methoxyphenyl)-3-methylindole;hydrochloride
CID 10302204
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole
CID 57233587
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(3-fluoro-4-phenylmethoxyphenyl)-3-methylindole
CID 90967728
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole?
The IUPAC name of 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole (CID 139899858) is 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole.
What is the SMILES notation for 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole?
The canonical SMILES for 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole is Cc1cc2ccccc2n1Cc1ccc(OCCN2CCCCCC2)cc1.
What is the InChIKey of 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole?
The InChIKey is KVVASRVFFIXBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-20-18-22-8-4-5-9-24(22)26(20)19-21-10-12-23(13-11-21)27-17-16-25-14-6-2-3-7-15-25/h4-5,8-13,18H,2-3,6-7,14-17,19H2,1H3.
What are the key properties of 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole?
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole has a molecular weight of 362.52 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole is sourced from PubChem (CID 139899858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).