3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide

C14H21BrN2O2 — CID 55189402

IUPAC3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1ccc(Br)cc1[C@@H](C)N
InChIInChI=1S/C14H21BrN2O2/c1-9(2)17-14(18)6-7-19-13-5-4-11(15)8-12(13)10(3)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyVTZZUCKVHGHQIZ-SNVBAGLBSA-N
MW329.24 g/mol
LogP2.76
Rot. Bonds6

About 3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide

3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide (PubChem CID 55189402) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide
PubChem CID55189402
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1ccc(Br)cc1[C@@H](C)N
InChIInChI=1S/C14H21BrN2O2/c1-9(2)17-14(18)6-7-19-13-5-4-11(15)8-12(13)10(3)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyVTZZUCKVHGHQIZ-SNVBAGLBSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methylpropanamide
CID 55191169
4-[2-(1-aminoethyl)-4-bromophenoxy]-N-methylbutanamide
CID 63890948
3-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 62624298
3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
CID 63368106
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392982
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
3-(4-bromo-2-propan-2-ylphenoxy)propanamide
CID 115401946
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-prop-2-ynylacetamide
CID 62369865
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
CID 62369379
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 78937363

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide (CID 55189402) is 3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1ccc(Br)cc1[C@@H](C)N.
What is the InChIKey of 3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide?
The InChIKey is VTZZUCKVHGHQIZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-9(2)17-14(18)6-7-19-13-5-4-11(15)8-12(13)10(3)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide?
3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide has a molecular weight of 329.24 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 55189402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).