N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine

C17H20BrNO — CID 82831547

IUPACN-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COCc2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrNO/c1-2-19-11-15-4-3-5-16(10-15)13-20-12-14-6-8-17(18)9-7-14/h3-10,19H,2,11-13H2,1H3
InChIKeyZLIOYADESPGXCF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.28
Rot. Bonds7

About N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine

N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine (PubChem CID 82831547) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
PubChem CID82831547
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COCc2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrNO/c1-2-19-11-15-4-3-5-16(10-15)13-20-12-14-6-8-17(18)9-7-14/h3-10,19H,2,11-13H2,1H3
InChIKeyZLIOYADESPGXCF-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 102773976
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
CID 82832395
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808490
N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
CID 62485606
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
N-[[3-[(3-chlorophenyl)methoxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457759
N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
CID 79112977

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine (CID 82831547) is N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine is CCNCc1cccc(COCc2ccc(Br)cc2)c1.
What is the InChIKey of N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine?
The InChIKey is ZLIOYADESPGXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-2-19-11-15-4-3-5-16(10-15)13-20-12-14-6-8-17(18)9-7-14/h3-10,19H,2,11-13H2,1H3.
What are the key properties of N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine?
N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 82831547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).