3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide

C15H23BrN2O — CID 115605352

IUPAC3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide
SMILESCC(NCCC(=O)NC(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-11(12-6-5-7-13(16)10-12)17-9-8-14(19)18-15(2,3)4/h5-7,10-11,17H,8-9H2,1-4H3,(H,18,19)
InChIKeyJFFHJPCANQXSMV-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.40
Rot. Bonds5

About 3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide

3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide (PubChem CID 115605352) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide
PubChem CID115605352
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide
SMILESCC(NCCC(=O)NC(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-11(12-6-5-7-13(16)10-12)17-9-8-14(19)18-15(2,3)4/h5-7,10-11,17H,8-9H2,1-4H3,(H,18,19)
InChIKeyJFFHJPCANQXSMV-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115676858
3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115667940
4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanoic acid
CID 81382738
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809
(2S)-4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-2-ol
CID 96784164
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115605278
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
methyl 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoate
CID 113436572
2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
CID 43566934
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113246946

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide?
The IUPAC name of 3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide (CID 115605352) is 3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide?
The canonical SMILES for 3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide is CC(NCCC(=O)NC(C)(C)C)c1cccc(Br)c1.
What is the InChIKey of 3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide?
The InChIKey is JFFHJPCANQXSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(12-6-5-7-13(16)10-12)17-9-8-14(19)18-15(2,3)4/h5-7,10-11,17H,8-9H2,1-4H3,(H,18,19).
What are the key properties of 3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide?
3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide is sourced from PubChem (CID 115605352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).