[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride

C15H17BrClNO — CID 139210923

IUPAC[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C15H16BrNO.ClH/c16-14-10-13(11-17)6-7-15(14)18-9-8-12-4-2-1-3-5-12;/h1-7,10H,8-9,11,17H2;1H
InChIKeyNYFIBKHOBDSMSF-UHFFFAOYSA-N
MW342.66 g/mol
LogP3.95
Rot. Bonds5

About [3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride

[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride (PubChem CID 139210923) has the molecular formula C15H17BrClNO and a molecular weight of 342.66 g/mol. Its IUPAC name is [3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride
PubChem CID139210923
Molecular FormulaC15H17BrClNO
Molecular Weight342.66 g/mol
Exact Mass341.02
IUPAC Name[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C15H16BrNO.ClH/c16-14-10-13(11-17)6-7-15(14)18-9-8-12-4-2-1-3-5-12;/h1-7,10H,8-9,11,17H2;1H
InChIKeyNYFIBKHOBDSMSF-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.66
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620
[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
[5-bromo-2-(2-phenylethoxy)phenyl]methanamine
CID 28981744
[3-bromo-4-(4-phenylbutoxy)phenyl]methanol
CID 114333931
(3-bromo-4-pentoxyphenyl)methanamine
CID 63047212
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
(3-bromo-4-phenoxyphenyl)methanamine
CID 82797010
5-bromo-2-(2-phenylethoxy)aniline
CID 26190375
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride (CID 139210923) is [3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(OCCc2ccccc2)c(Br)c1.
What is the InChIKey of [3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is NYFIBKHOBDSMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO.ClH/c16-14-10-13(11-17)6-7-15(14)18-9-8-12-4-2-1-3-5-12;/h1-7,10H,8-9,11,17H2;1H.
What are the key properties of [3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride?
[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 342.66 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 139210923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).