N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine

C18H20N2O — CID 25219438

IUPACN-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
SMILESCOc1ccc2[nH]cc(CNCCc3ccccc3)c2c1
InChIInChI=1S/C18H20N2O/c1-21-16-7-8-18-17(11-16)15(13-20-18)12-19-10-9-14-5-3-2-4-6-14/h2-8,11,13,19-20H,9-10,12H2,1H3
InChIKeyRPMBSELIDJQQMX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.51
Rot. Bonds6

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

N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine (PubChem CID 25219438) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
PubChem CID25219438
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
SMILESCOc1ccc2[nH]cc(CNCCc3ccccc3)c2c1
InChIInChI=1S/C18H20N2O/c1-21-16-7-8-18-17(11-16)15(13-20-18)12-19-10-9-14-5-3-2-4-6-14/h2-8,11,13,19-20H,9-10,12H2,1H3
InChIKeyRPMBSELIDJQQMX-UHFFFAOYSA-N
XLogP3.51
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.51
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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Related Compounds

N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide
CID 42646833
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
CID 53274319
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 21071638
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine (CID 25219438) is N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine is COc1ccc2[nH]cc(CNCCc3ccccc3)c2c1.
What is the InChIKey of N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine?
The InChIKey is RPMBSELIDJQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-21-16-7-8-18-17(11-16)15(13-20-18)12-19-10-9-14-5-3-2-4-6-14/h2-8,11,13,19-20H,9-10,12H2,1H3.
What are the key properties of N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine?
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 25219438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).