N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine

C18H19ClN2O — CID 5200316

IUPACN-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1ccc2[nH]cc(CCNCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H19ClN2O/c1-22-16-6-7-18-17(10-16)14(12-21-18)8-9-20-11-13-2-4-15(19)5-3-13/h2-7,10,12,20-21H,8-9,11H2,1H3
InChIKeyOMHWFERWNDTMJH-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.16
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine

N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine (PubChem CID 5200316) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
PubChem CID5200316
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1ccc2[nH]cc(CCNCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H19ClN2O/c1-22-16-6-7-18-17(10-16)14(12-21-18)8-9-20-11-13-2-4-15(19)5-3-13/h2-7,10,12,20-21H,8-9,11H2,1H3
InChIKeyOMHWFERWNDTMJH-UHFFFAOYSA-N
XLogP4.16
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine (CID 5200316) is N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine is COc1ccc2[nH]cc(CCNCc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine?
The InChIKey is OMHWFERWNDTMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-22-16-6-7-18-17(10-16)14(12-21-18)8-9-20-11-13-2-4-15(19)5-3-13/h2-7,10,12,20-21H,8-9,11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine?
N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine has a molecular weight of 314.82 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 5200316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).