1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol

C15H25BrN2O — CID 81383192

IUPAC1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CN[C@H](C)c1ccccc1Br
InChIInChI=1S/C15H25BrN2O/c1-4-18(5-2)11-13(19)10-17-12(3)14-8-6-7-9-15(14)16/h6-9,12-13,17,19H,4-5,10-11H2,1-3H3/t12-,13?/m1/s1
InChIKeyOWSMCCCFSPMPRB-PZORYLMUSA-N
MW329.28 g/mol
LogP2.80
Rot. Bonds8

About 1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol

1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol (PubChem CID 81383192) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
PubChem CID81383192
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CN[C@H](C)c1ccccc1Br
InChIInChI=1S/C15H25BrN2O/c1-4-18(5-2)11-13(19)10-17-12(3)14-8-6-7-9-15(14)16/h6-9,12-13,17,19H,4-5,10-11H2,1-3H3/t12-,13?/m1/s1
InChIKeyOWSMCCCFSPMPRB-PZORYLMUSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
CID 81383492
3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol
CID 103787908
1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 60710732
2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
CID 63294580
1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 81361333
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81383114
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81397433
1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 54952800
1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
CID 54964766
2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8792770

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol (CID 81383192) is 1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CN[C@H](C)c1ccccc1Br.
What is the InChIKey of 1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol?
The InChIKey is OWSMCCCFSPMPRB-PZORYLMUSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-4-18(5-2)11-13(19)10-17-12(3)14-8-6-7-9-15(14)16/h6-9,12-13,17,19H,4-5,10-11H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of 1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol?
1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol has a molecular weight of 329.28 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 81383192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).