N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine

C14H16BrN3O — CID 62699145

IUPACN-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Br)c1OCc1ncccn1
InChIInChI=1S/C14H16BrN3O/c1-2-16-9-11-5-3-6-12(15)14(11)19-10-13-17-7-4-8-18-13/h3-8,16H,2,9-10H2,1H3
InChIKeyNHOPCCFGMGHISG-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.93
Rot. Bonds6

About N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine

N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 62699145) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID62699145
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Br)c1OCc1ncccn1
InChIInChI=1S/C14H16BrN3O/c1-2-16-9-11-5-3-6-12(15)14(11)19-10-13-17-7-4-8-18-13/h3-8,16H,2,9-10H2,1H3
InChIKeyNHOPCCFGMGHISG-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 62699146
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499927
N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63020469
N-[[3-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61390714
N-[[3-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 61390087
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63498834
N-[[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 61390113
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
N-[[3-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63501536
N-[[3-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61390668

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine (CID 62699145) is N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(Br)c1OCc1ncccn1.
What is the InChIKey of N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is NHOPCCFGMGHISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-16-9-11-5-3-6-12(15)14(11)19-10-13-17-7-4-8-18-13/h3-8,16H,2,9-10H2,1H3.
What are the key properties of N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine?
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 322.21 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 62699145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).