N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride

C17H21BrClNO — CID 2984050

IUPACN-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1cc(Br)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C17H20BrNO.ClH/c1-13(2)19-11-15-10-16(18)8-9-17(15)20-12-14-6-4-3-5-7-14;/h3-10,13,19H,11-12H2,1-2H3;1H
InChIKeyTXGOJEFKYXYFBM-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.95
Rot. Bonds6

About N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride (PubChem CID 2984050) has the molecular formula C17H21BrClNO and a molecular weight of 370.72 g/mol. Its IUPAC name is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride
PubChem CID2984050
Molecular FormulaC17H21BrClNO
Molecular Weight370.72 g/mol
Exact Mass369.05
IUPAC NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1cc(Br)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C17H20BrNO.ClH/c1-13(2)19-11-15-10-16(18)8-9-17(15)20-12-14-6-4-3-5-7-14;/h3-10,13,19H,11-12H2,1-2H3;1H
InChIKeyTXGOJEFKYXYFBM-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride (CID 2984050) is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride is CC(C)NCc1cc(Br)ccc1OCc1ccccc1.Cl.
What is the InChIKey of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride?
The InChIKey is TXGOJEFKYXYFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO.ClH/c1-13(2)19-11-15-10-16(18)8-9-17(15)20-12-14-6-4-3-5-7-14;/h3-10,13,19H,11-12H2,1-2H3;1H.
What are the key properties of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride?
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride has a molecular weight of 370.72 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 2984050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).