(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride

C14H15BrClNO — CID 91799383

IUPAC(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(Br)c1OCc1ccccc1
InChIInChI=1S/C14H14BrNO.ClH/c15-13-8-4-7-12(9-16)14(13)17-10-11-5-2-1-3-6-11;/h1-8H,9-10,16H2;1H
InChIKeyRCDXFHOAQDGVJX-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.91
Rot. Bonds4

About (3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride

(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride (PubChem CID 91799383) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is (3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
PubChem CID91799383
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC Name(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(Br)c1OCc1ccccc1
InChIInChI=1S/C14H14BrNO.ClH/c15-13-8-4-7-12(9-16)14(13)17-10-11-5-2-1-3-6-11;/h1-8H,9-10,16H2;1H
InChIKeyRCDXFHOAQDGVJX-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 61389688
[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine
CID 61389559
2-(aminomethyl)-6-phenylmethoxyphenol
CID 117330545
1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene
CID 102939932
[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 61389777
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262960
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545
[3-bromo-2-(2-phenylethoxy)phenyl]methanol
CID 61391567
5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
CID 62228230

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride (CID 91799383) is (3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride is Cl.NCc1cccc(Br)c1OCc1ccccc1.
What is the InChIKey of (3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride?
The InChIKey is RCDXFHOAQDGVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO.ClH/c15-13-8-4-7-12(9-16)14(13)17-10-11-5-2-1-3-6-11;/h1-8H,9-10,16H2;1H.
What are the key properties of (3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride?
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride has a molecular weight of 328.64 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 91799383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).