N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine

C17H20BrNO2 — CID 43283291

IUPACN-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine
SMILESCOc1ccccc1Oc1cc(Br)ccc1CNC(C)C
InChIInChI=1S/C17H20BrNO2/c1-12(2)19-11-13-8-9-14(18)10-17(13)21-16-7-5-4-6-15(16)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyJNAKFLUJZJZCBQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.75
Rot. Bonds6

About N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine

N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43283291) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine
PubChem CID43283291
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC NameN-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine
SMILESCOc1ccccc1Oc1cc(Br)ccc1CNC(C)C
InChIInChI=1S/C17H20BrNO2/c1-12(2)19-11-13-8-9-14(18)10-17(13)21-16-7-5-4-6-15(16)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyJNAKFLUJZJZCBQ-UHFFFAOYSA-N
XLogP4.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283629
2-N-[(4-bromo-2-methoxyphenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345370
[4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol
CID 61229341
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43282598
N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928315
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935872
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66191814
2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
CID 107712955
N-[[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 115370024

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine (CID 43283291) is N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine is COc1ccccc1Oc1cc(Br)ccc1CNC(C)C.
What is the InChIKey of N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is JNAKFLUJZJZCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12(2)19-11-13-8-9-14(18)10-17(13)21-16-7-5-4-6-15(16)20-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine?
N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 350.26 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43283291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).