N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine

C24H24N2O — CID 142876376

IUPACN-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine
SMILESc1ccc(CCNCc2ccc(Oc3ccc(C4C5CC54)nc3)cc2)cc1
InChIInChI=1S/C24H24N2O/c1-2-4-17(5-3-1)12-13-25-15-18-6-8-19(9-7-18)27-20-10-11-23(26-16-20)24-21-14-22(21)24/h1-11,16,21-22,24-25H,12-15H2
InChIKeyBHNZREVCLKLSLH-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.94
Rot. Bonds8

About N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine

N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine (PubChem CID 142876376) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine
PubChem CID142876376
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine
SMILESc1ccc(CCNCc2ccc(Oc3ccc(C4C5CC54)nc3)cc2)cc1
InChIInChI=1S/C24H24N2O/c1-2-4-17(5-3-1)12-13-25-15-18-6-8-19(9-7-18)27-20-10-11-23(26-16-20)24-21-14-22(21)24/h1-11,16,21-22,24-25H,12-15H2
InChIKeyBHNZREVCLKLSLH-UHFFFAOYSA-N
XLogP4.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine
CID 2235790
4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide
CID 59730284
2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde
CID 115223204
N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide
CID 11597008
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
S-[4-[2-[[4-(3H-benzimidazol-5-yloxy)phenyl]methylamino]ethyl]phenyl]thiohydroxylamine
CID 143445615
N-benzylethanamine;N-(cyclohexylmethyl)ethanamine;N-ethyl-N-methylpyridin-2-amine;N-ethyl-2-(4-phenoxyphenyl)ethanamine
CID 159061980
(5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate
CID 66731262
N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 21071539
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
[[5-[4-[[2-(4-methoxyphenyl)ethylamino]methyl]phenoxy]pyridine-2-carbonyl]amino]methanesulfonic acid
CID 91022651

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine (CID 142876376) is N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine is c1ccc(CCNCc2ccc(Oc3ccc(C4C5CC54)nc3)cc2)cc1.
What is the InChIKey of N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine?
The InChIKey is BHNZREVCLKLSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-2-4-17(5-3-1)12-13-25-15-18-6-8-19(9-7-18)27-20-10-11-23(26-16-20)24-21-14-22(21)24/h1-11,16,21-22,24-25H,12-15H2.
What are the key properties of N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine?
N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine has a molecular weight of 356.47 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[6-(2-bicyclo[1.1.0]butanyl)-3-pyridinyl]oxy]phenyl]methyl]-2-phenylethanamine is sourced from PubChem (CID 142876376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).