3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride

C16H24BrClN2O2 — CID 119776317

IUPAC3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride
SMILESCCOc1ccc(Br)cc1CN(C(=O)CC(C)N)C1CC1.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-3-21-15-7-4-13(17)9-12(15)10-19(14-5-6-14)16(20)8-11(2)18;/h4,7,9,11,14H,3,5-6,8,10,18H2,1-2H3;1H
InChIKeyCXQZOFSLWWGTIO-UHFFFAOYSA-N
MW391.74 g/mol
LogP3.50
Rot. Bonds7

About 3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride

3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride (PubChem CID 119776317) has the molecular formula C16H24BrClN2O2 and a molecular weight of 391.74 g/mol. Its IUPAC name is 3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride
PubChem CID119776317
Molecular FormulaC16H24BrClN2O2
Molecular Weight391.74 g/mol
Exact Mass390.07
IUPAC Name3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride
SMILESCCOc1ccc(Br)cc1CN(C(=O)CC(C)N)C1CC1.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-3-21-15-7-4-13(17)9-12(15)10-19(14-5-6-14)16(20)8-11(2)18;/h4,7,9,11,14H,3,5-6,8,10,18H2,1-2H3;1H
InChIKeyCXQZOFSLWWGTIO-UHFFFAOYSA-N
XLogP3.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide
CID 119319329
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119776313
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide
CID 119776314
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 119776320
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide
CID 62368885
2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 170879238
2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 65431648
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907716
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
CID 940103

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride (CID 119776317) is 3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride is CCOc1ccc(Br)cc1CN(C(=O)CC(C)N)C1CC1.Cl.
What is the InChIKey of 3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride?
The InChIKey is CXQZOFSLWWGTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2.ClH/c1-3-21-15-7-4-13(17)9-12(15)10-19(14-5-6-14)16(20)8-11(2)18;/h4,7,9,11,14H,3,5-6,8,10,18H2,1-2H3;1H.
What are the key properties of 3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride?
3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride has a molecular weight of 391.74 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride is sourced from PubChem (CID 119776317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).