[3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine

C16H18BrNO — CID 102814464

IUPAC[3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine
SMILESCC(C)c1cccc(Oc2cc(Br)cc(CN)c2)c1
InChIInChI=1S/C16H18BrNO/c1-11(2)13-4-3-5-15(8-13)19-16-7-12(10-18)6-14(17)9-16/h3-9,11H,10,18H2,1-2H3
InChIKeyANBDLVRCJOCTDY-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.82
Rot. Bonds4

About [3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine

[3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine (PubChem CID 102814464) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is [3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine
PubChem CID102814464
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name[3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine
SMILESCC(C)c1cccc(Oc2cc(Br)cc(CN)c2)c1
InChIInChI=1S/C16H18BrNO/c1-11(2)13-4-3-5-15(8-13)19-16-7-12(10-18)6-14(17)9-16/h3-9,11H,10,18H2,1-2H3
InChIKeyANBDLVRCJOCTDY-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
(3-bromo-5-methoxyphenyl)methanamine
CID 53414441
[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine
CID 102814466
[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine
CID 102814582
3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine
CID 113469499

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine (CID 102814464) is [3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine is CC(C)c1cccc(Oc2cc(Br)cc(CN)c2)c1.
What is the InChIKey of [3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine?
The InChIKey is ANBDLVRCJOCTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11(2)13-4-3-5-15(8-13)19-16-7-12(10-18)6-14(17)9-16/h3-9,11H,10,18H2,1-2H3.
What are the key properties of [3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine?
[3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine has a molecular weight of 320.23 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine is sourced from PubChem (CID 102814464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).