1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol

C12H18BrNO — CID 75355879

IUPAC1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)C(O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-8(2)14-9(3)12(15)10-4-6-11(13)7-5-10/h4-9,12,14-15H,1-3H3
InChIKeyMUNRNSNAMPPKAP-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.87
Rot. Bonds4

About 1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol

1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 75355879) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID75355879
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)C(O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-8(2)14-9(3)12(15)10-4-6-11(13)7-5-10/h4-9,12,14-15H,1-3H3
InChIKeyMUNRNSNAMPPKAP-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol (CID 75355879) is 1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(C)C(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is MUNRNSNAMPPKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8(2)14-9(3)12(15)10-4-6-11(13)7-5-10/h4-9,12,14-15H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol?
1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 75355879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).