N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine

C18H21BrN2O — CID 119107255

IUPACN-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESBrc1ccc(C2(CNCc3ccncc3)CCOCC2)cc1
InChIInChI=1S/C18H21BrN2O/c19-17-3-1-16(2-4-17)18(7-11-22-12-8-18)14-21-13-15-5-9-20-10-6-15/h1-6,9-10,21H,7-8,11-14H2
InChIKeyGAILQAAQIPHHDU-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.68
Rot. Bonds5

About N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine

N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 119107255) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID119107255
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESBrc1ccc(C2(CNCc3ccncc3)CCOCC2)cc1
InChIInChI=1S/C18H21BrN2O/c19-17-3-1-16(2-4-17)18(7-11-22-12-8-18)14-21-13-15-5-9-20-10-6-15/h1-6,9-10,21H,7-8,11-14H2
InChIKeyGAILQAAQIPHHDU-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine
CID 75405292
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
4-(4-bromophenyl)-4-(fluoromethyl)oxane
CID 67363098
(4-pyridin-4-yloxan-4-yl)methanamine
CID 80524202
N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine
CID 55684281
N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide
CID 38066830
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904
[3-(4-bromophenyl)oxolan-3-yl]methanol
CID 142784119
1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine
CID 86843098
1-(2,4-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine
CID 86843102
1-[[4-(4-bromophenyl)oxan-4-yl]methyl]-3-butan-2-yl-2-methylguanidine
CID 110945306

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine (CID 119107255) is N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine is Brc1ccc(C2(CNCc3ccncc3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is GAILQAAQIPHHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c19-17-3-1-16(2-4-17)18(7-11-22-12-8-18)14-21-13-15-5-9-20-10-6-15/h1-6,9-10,21H,7-8,11-14H2.
What are the key properties of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine?
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 361.28 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 119107255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).