4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol

C17H26BrNO — CID 64920939

IUPAC4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol
SMILESCCC(NC1CCC(CC)C1C)c1cc(Br)ccc1O
InChIInChI=1S/C17H26BrNO/c1-4-12-6-8-16(11(12)3)19-15(5-2)14-10-13(18)7-9-17(14)20/h7,9-12,15-16,19-20H,4-6,8H2,1-3H3
InChIKeyGEIBFSAABSZMTF-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.02
Rot. Bonds5

About 4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol

4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol (PubChem CID 64920939) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol
PubChem CID64920939
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol
SMILESCCC(NC1CCC(CC)C1C)c1cc(Br)ccc1O
InChIInChI=1S/C17H26BrNO/c1-4-12-6-8-16(11(12)3)19-15(5-2)14-10-13(18)7-9-17(14)20/h7,9-12,15-16,19-20H,4-6,8H2,1-3H3
InChIKeyGEIBFSAABSZMTF-UHFFFAOYSA-N
XLogP5.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[1-[(3-methylcyclobutyl)amino]propyl]phenol
CID 113467135
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 82964868
N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920776
4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
CID 130067502
4-bromo-2-[1-[[(1S)-1-cyclopentylethyl]amino]propyl]phenol
CID 81386831
4-bromo-2-[1-(3-methylbut-2-enylamino)propyl]phenol
CID 103522639
4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol
CID 103271351
4-bromo-2-[1-(pyrrol-1-ylamino)propyl]phenol
CID 79090589
4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol
CID 43371909
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64922129
4-bromo-2-[1-(2,2,2-trifluoroethylamino)propyl]phenol
CID 24705211
4-bromo-2-[1-(4-hydroxypentan-2-ylamino)propyl]phenol
CID 113376022

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol?
The IUPAC name of 4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol (CID 64920939) is 4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol?
The canonical SMILES for 4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol is CCC(NC1CCC(CC)C1C)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol?
The InChIKey is GEIBFSAABSZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-12-6-8-16(11(12)3)19-15(5-2)14-10-13(18)7-9-17(14)20/h7,9-12,15-16,19-20H,4-6,8H2,1-3H3.
What are the key properties of 4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol?
4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol has a molecular weight of 340.31 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol is sourced from PubChem (CID 64920939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).