N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine

C18H21ClN2 — CID 114847408

IUPACN-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1c2ccccc2CC1C
InChIInChI=1S/C18H21ClN2/c1-3-20-12-15-8-9-16(19)11-18(15)21-13(2)10-14-6-4-5-7-17(14)21/h4-9,11,13,20H,3,10,12H2,1-2H3
InChIKeyXQTTUYGWBSYKIU-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.53
Rot. Bonds4

About N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine

N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine (PubChem CID 114847408) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
PubChem CID114847408
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC NameN-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1c2ccccc2CC1C
InChIInChI=1S/C18H21ClN2/c1-3-20-12-15-8-9-16(19)11-18(15)21-13(2)10-14-6-4-5-7-17(14)21/h4-9,11,13,20H,3,10,12H2,1-2H3
InChIKeyXQTTUYGWBSYKIU-UHFFFAOYSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol
CID 114845142
N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114850627
4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide
CID 76984980
2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 63784913
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114847648
N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851009
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 114854091
2-[4-[5-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848526
[4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol
CID 114845625

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine (CID 114847408) is N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1N1c2ccccc2CC1C.
What is the InChIKey of N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine?
The InChIKey is XQTTUYGWBSYKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-3-20-12-15-8-9-16(19)11-18(15)21-13(2)10-14-6-4-5-7-17(14)21/h4-9,11,13,20H,3,10,12H2,1-2H3.
What are the key properties of N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine has a molecular weight of 300.83 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114847408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).