N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine

C17H18N2O — CID 60663580

IUPACN-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
SMILESc1ccc(OCCNCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N2O/c1-2-6-15(7-3-1)20-11-10-18-12-14-13-19-17-9-5-4-8-16(14)17/h1-9,13,18-19H,10-12H2
InChIKeyQAIWCQVLKYAKMJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.34
Rot. Bonds6

About N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine

N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine (PubChem CID 60663580) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
PubChem CID60663580
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
SMILESc1ccc(OCCNCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N2O/c1-2-6-15(7-3-1)20-11-10-18-12-14-13-19-17-9-5-4-8-16(14)17/h1-9,13,18-19H,10-12H2
InChIKeyQAIWCQVLKYAKMJ-UHFFFAOYSA-N
XLogP3.34
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.34
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

3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
CID 62325957
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
(1H-indol-3-ylmethylamino)methanol
CID 115228988
N-(1H-indol-3-ylmethyl)-4-propoxyaniline
CID 62327281
N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843083
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
(2R)-3-(1H-indol-3-yl)-2-(3-phenoxypropylcarbamoylamino)propanoic acid
CID 51519605

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine (CID 60663580) is N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine is c1ccc(OCCNCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine?
The InChIKey is QAIWCQVLKYAKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-6-15(7-3-1)20-11-10-18-12-14-13-19-17-9-5-4-8-16(14)17/h1-9,13,18-19H,10-12H2.
What are the key properties of N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine?
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine is sourced from PubChem (CID 60663580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).