2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide

C14H21BrN2O — CID 60654137

IUPAC2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-9(2)16-14(18)11(4)17-10(3)12-5-7-13(15)8-6-12/h5-11,17H,1-4H3,(H,16,18)
InChIKeyBVQVJVNLFHSOPA-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.01
Rot. Bonds5

About 2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide

2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 60654137) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID60654137
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-9(2)16-14(18)11(4)17-10(3)12-5-7-13(15)8-6-12/h5-11,17H,1-4H3,(H,16,18)
InChIKeyBVQVJVNLFHSOPA-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81347234
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-carbamoylpropanamide
CID 81360131
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 81359950
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 9001696
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
2-(1-naphthalen-2-ylethylamino)-N-propan-2-ylpropanamide
CID 115571851

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide (CID 60654137) is 2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NC(C)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is BVQVJVNLFHSOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-9(2)16-14(18)11(4)17-10(3)12-5-7-13(15)8-6-12/h5-11,17H,1-4H3,(H,16,18).
What are the key properties of 2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide?
2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 313.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 60654137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).