1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol

C16H24BrNO3 — CID 103603711

IUPAC1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol
SMILESOC(CNCCCOCC1CC1)COc1cccc(Br)c1
InChIInChI=1S/C16H24BrNO3/c17-14-3-1-4-16(9-14)21-12-15(19)10-18-7-2-8-20-11-13-5-6-13/h1,3-4,9,13,15,18-19H,2,5-8,10-12H2
InChIKeyBEILMHRIGUBTJE-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.60
Rot. Bonds11

About 1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol

1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol (PubChem CID 103603711) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol
PubChem CID103603711
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol
SMILESOC(CNCCCOCC1CC1)COc1cccc(Br)c1
InChIInChI=1S/C16H24BrNO3/c17-14-3-1-4-16(9-14)21-12-15(19)10-18-7-2-8-20-11-13-5-6-13/h1,3-4,9,13,15,18-19H,2,5-8,10-12H2
InChIKeyBEILMHRIGUBTJE-UHFFFAOYSA-N
XLogP2.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 4555054
1-(3-bromophenoxy)-3-(octylamino)propan-2-ol
CID 115567734
1-(3-bromophenoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729322
1-(3-bromophenoxy)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 60658614
3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol
CID 66169524
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
1-(3-bromophenoxy)-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
CID 106429304
(2S)-1-(2-aminoethylamino)-3-[4-[2-[2-(cyclopropylmethoxy)ethoxy]ethyl]phenoxy]propan-2-ol
CID 54292131
1-(3-bromophenoxy)-3-(but-2-ynylamino)propan-2-ol
CID 113464617
1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898174
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
CID 66321596
1-(3-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454685

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol (CID 103603711) is 1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol is OC(CNCCCOCC1CC1)COc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol?
The InChIKey is BEILMHRIGUBTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c17-14-3-1-4-16(9-14)21-12-15(19)10-18-7-2-8-20-11-13-5-6-13/h1,3-4,9,13,15,18-19H,2,5-8,10-12H2.
What are the key properties of 1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol?
1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol has a molecular weight of 358.28 g/mol, XLogP of 2.60, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol is sourced from PubChem (CID 103603711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).