N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine

C17H19BrN2O — CID 167761666

IUPACN-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine
SMILESBrc1cccc(C2(CNc3ccccn3)CCOCC2)c1
InChIInChI=1S/C17H19BrN2O/c18-15-5-3-4-14(12-15)17(7-10-21-11-8-17)13-20-16-6-1-2-9-19-16/h1-6,9,12H,7-8,10-11,13H2,(H,19,20)
InChIKeyWJHWONRNFIYJOG-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.00
Rot. Bonds4

About N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine (PubChem CID 167761666) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine
PubChem CID167761666
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine
SMILESBrc1cccc(C2(CNc3ccccn3)CCOCC2)c1
InChIInChI=1S/C17H19BrN2O/c18-15-5-3-4-14(12-15)17(7-10-21-11-8-17)13-20-16-6-1-2-9-19-16/h1-6,9,12H,7-8,10-11,13H2,(H,19,20)
InChIKeyWJHWONRNFIYJOG-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrimidin-2-amine
CID 154859751
6-[[4-(3-bromophenyl)oxan-4-yl]methylamino]pyrimidine-4-carbonitrile
CID 154863864
6-[[4-(3-bromophenyl)oxan-4-yl]methylamino]pyridazine-3-carbonitrile
CID 154858966
N-[[4-[4-(4-chlorobutoxy)phenyl]oxan-4-yl]methyl]pyridin-2-amine
CID 68576502
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1-cyclopropylmethanamine
CID 119110407
1-(4-bromo-2-pyridinyl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 99800169
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482369
6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133291402
2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119934704
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]cyclobutanecarboxamide
CID 47060857
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-phenylbutanamide
CID 60526265

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine (CID 167761666) is N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine is Brc1cccc(C2(CNc3ccccn3)CCOCC2)c1.
What is the InChIKey of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine?
The InChIKey is WJHWONRNFIYJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-15-5-3-4-14(12-15)17(7-10-21-11-8-17)13-20-16-6-1-2-9-19-16/h1-6,9,12H,7-8,10-11,13H2,(H,19,20).
What are the key properties of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine?
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine has a molecular weight of 347.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 167761666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).