N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine

C18H21NO — CID 135065487

IUPACN-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine
SMILESC=CC(C)ON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-3-16(2)20-19(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h3-13,16H,1,14-15H2,2H3
InChIKeyLIZGSUNVHSSUDM-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.19
Rot. Bonds7

About N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine

N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine (PubChem CID 135065487) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine
PubChem CID135065487
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine
SMILESC=CC(C)ON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-3-16(2)20-19(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h3-13,16H,1,14-15H2,2H3
InChIKeyLIZGSUNVHSSUDM-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dibenzylhydroxylamine
CID 69297
N,N-Dibenzylethanolamine
CID 22657
Dibenzyldimethylammonium chloride
CID 101569
Tribenzylamine N-oxide
CID 3624962
N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine
CID 6712809
3-(Dibenzylamino)-1-propanol
CID 4437007
Dibenzyldimethylammonium
CID 101570
(E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine
CID 5473933
Oxifentorex
CID 176171
1,3-Bis[benzyl(methyl)amino]propan-2-ol
CID 224691
1-[Benzyl(ethyl)amino]-3-[benzyl(methyl)amino]propan-2-ol
CID 44427658
N-Ethyldibenzylamine
CID 82656

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine (CID 135065487) is N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine is C=CC(C)ON(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine?
The InChIKey is LIZGSUNVHSSUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-16(2)20-19(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h3-13,16H,1,14-15H2,2H3.
What are the key properties of N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine?
N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine has a molecular weight of 267.37 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine is sourced from PubChem (CID 135065487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).