[4-(3-aminopropyl)-3-bromophenyl]methanol

C10H14BrNO — CID 84802538

IUPAC[4-(3-aminopropyl)-3-bromophenyl]methanol
SMILESNCCCc1ccc(CO)cc1Br
InChIInChI=1S/C10H14BrNO/c11-10-6-8(7-13)3-4-9(10)2-1-5-12/h3-4,6,13H,1-2,5,7,12H2
InChIKeyBYSLJHWFSUUUHN-UHFFFAOYSA-N
MW244.13 g/mol
LogP1.83
Rot. Bonds4

About [4-(3-aminopropyl)-3-bromophenyl]methanol

[4-(3-aminopropyl)-3-bromophenyl]methanol (PubChem CID 84802538) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is [4-(3-aminopropyl)-3-bromophenyl]methanol.

Molecular Properties

Compound Name[4-(3-aminopropyl)-3-bromophenyl]methanol
PubChem CID84802538
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name[4-(3-aminopropyl)-3-bromophenyl]methanol
SMILESNCCCc1ccc(CO)cc1Br
InChIInChI=1S/C10H14BrNO/c11-10-6-8(7-13)3-4-9(10)2-1-5-12/h3-4,6,13H,1-2,5,7,12H2
InChIKeyBYSLJHWFSUUUHN-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropyl)-3-bromophenyl]methanol?
The IUPAC name of [4-(3-aminopropyl)-3-bromophenyl]methanol (CID 84802538) is [4-(3-aminopropyl)-3-bromophenyl]methanol.
What is the SMILES notation for [4-(3-aminopropyl)-3-bromophenyl]methanol?
The canonical SMILES for [4-(3-aminopropyl)-3-bromophenyl]methanol is NCCCc1ccc(CO)cc1Br.
What is the InChIKey of [4-(3-aminopropyl)-3-bromophenyl]methanol?
The InChIKey is BYSLJHWFSUUUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c11-10-6-8(7-13)3-4-9(10)2-1-5-12/h3-4,6,13H,1-2,5,7,12H2.
What are the key properties of [4-(3-aminopropyl)-3-bromophenyl]methanol?
[4-(3-aminopropyl)-3-bromophenyl]methanol has a molecular weight of 244.13 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropyl)-3-bromophenyl]methanol is sourced from PubChem (CID 84802538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).