[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine

C14H13BrClNO — CID 82827870

IUPAC[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
SMILESNCc1ccc(Cl)cc1OCc1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO/c15-12-3-1-2-10(6-12)9-18-14-7-13(16)5-4-11(14)8-17/h1-7H,8-9,17H2
InChIKeyVXUIANQNTYVYEO-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.14
Rot. Bonds4

About [2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine

[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine (PubChem CID 82827870) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
PubChem CID82827870
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
SMILESNCc1ccc(Cl)cc1OCc1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO/c15-12-3-1-2-10(6-12)9-18-14-7-13(16)5-4-11(14)8-17/h1-7H,8-9,17H2
InChIKeyVXUIANQNTYVYEO-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 114322356
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 113277219
4-bromo-2-[(3-chlorophenyl)methoxy]aniline
CID 65342868
[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828121
1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine
CID 169386020
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 63081281

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine?
The IUPAC name of [2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine (CID 82827870) is [2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine.
What is the SMILES notation for [2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine?
The canonical SMILES for [2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine is NCc1ccc(Cl)cc1OCc1cccc(Br)c1.
What is the InChIKey of [2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine?
The InChIKey is VXUIANQNTYVYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-12-3-1-2-10(6-12)9-18-14-7-13(16)5-4-11(14)8-17/h1-7H,8-9,17H2.
What are the key properties of [2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine?
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine has a molecular weight of 326.62 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine is sourced from PubChem (CID 82827870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).