N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine

C18H20N2O — CID 11780932

IUPACN-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine
SMILESCCC(c1cc2ccccc2[nH]1)N(O)Cc1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-18(20(21)13-14-8-4-3-5-9-14)17-12-15-10-6-7-11-16(15)19-17/h3-12,18-19,21H,2,13H2,1H3
InChIKeyUYRVNPBOEIXGFK-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.51
Rot. Bonds5

About N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine

N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine (PubChem CID 11780932) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine
PubChem CID11780932
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine
SMILESCCC(c1cc2ccccc2[nH]1)N(O)Cc1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-18(20(21)13-14-8-4-3-5-9-14)17-12-15-10-6-7-11-16(15)19-17/h3-12,18-19,21H,2,13H2,1H3
InChIKeyUYRVNPBOEIXGFK-UHFFFAOYSA-N
XLogP4.51
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-2-yl)-3-methylpentanoic acid
CID 146350341
N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 113207051
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
2-amino-1-(1H-indol-2-yl)ethanol
CID 82599143
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527
2-(1H-indol-2-yl)propane-1,3-diamine
CID 46184304
(3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one
CID 102472553
N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171015
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(3-(1H-indol-2-yl)-3-phenylpropanoic acid)
CID 162247265
ethyl (3S)-3-(1H-indol-2-yl)butanoate
CID 98010811
1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
CID 158279804
(1R)-3-amino-1-(1H-indol-2-yl)propan-1-ol
CID 96625080

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine?
The IUPAC name of N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine (CID 11780932) is N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine is CCC(c1cc2ccccc2[nH]1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine?
The InChIKey is UYRVNPBOEIXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-18(20(21)13-14-8-4-3-5-9-14)17-12-15-10-6-7-11-16(15)19-17/h3-12,18-19,21H,2,13H2,1H3.
What are the key properties of N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine?
N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine has a molecular weight of 280.37 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(1H-indol-2-yl)propyl]hydroxylamine is sourced from PubChem (CID 11780932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).