2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol

C15H25BrN2O — CID 61048823

IUPAC2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
SMILESCCN(CC)CCNC(C)(CO)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-4-18(5-2)10-9-17-15(3,12-19)13-7-6-8-14(16)11-13/h6-8,11,17,19H,4-5,9-10,12H2,1-3H3
InChIKeyXXLCEEVYRGTMFL-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.59
Rot. Bonds8

About 2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol

2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol (PubChem CID 61048823) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
PubChem CID61048823
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
SMILESCCN(CC)CCNC(C)(CO)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-4-18(5-2)10-9-17-15(3,12-19)13-7-6-8-14(16)11-13/h6-8,11,17,19H,4-5,9-10,12H2,1-3H3
InChIKeyXXLCEEVYRGTMFL-UHFFFAOYSA-N
XLogP2.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 82973754
2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol
CID 61049819
2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol
CID 61309688
N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
CID 66931419
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 61050689
2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol
CID 103465829
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol?
The IUPAC name of 2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol (CID 61048823) is 2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol.
What is the SMILES notation for 2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol?
The canonical SMILES for 2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol is CCN(CC)CCNC(C)(CO)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol?
The InChIKey is XXLCEEVYRGTMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-4-18(5-2)10-9-17-15(3,12-19)13-7-6-8-14(16)11-13/h6-8,11,17,19H,4-5,9-10,12H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol?
2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol has a molecular weight of 329.28 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol is sourced from PubChem (CID 61048823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).