N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine

C17H23Br2NO — CID 107743748

IUPACN-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Br)c(OC2C=CCCC2)c(Br)c1
InChIInChI=1S/C17H23Br2NO/c1-17(2,3)20-11-12-9-14(18)16(15(19)10-12)21-13-7-5-4-6-8-13/h5,7,9-10,13,20H,4,6,8,11H2,1-3H3
InChIKeyABWHMWOYXPCKNZ-UHFFFAOYSA-N
MW417.19 g/mol
LogP5.59
Rot. Bonds4

About N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 107743748) has the molecular formula C17H23Br2NO and a molecular weight of 417.19 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID107743748
Molecular FormulaC17H23Br2NO
Molecular Weight417.19 g/mol
Exact Mass415.01
IUPAC NameN-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Br)c(OC2C=CCCC2)c(Br)c1
InChIInChI=1S/C17H23Br2NO/c1-17(2,3)20-11-12-9-14(18)16(15(19)10-12)21-13-7-5-4-6-8-13/h5,7,9-10,13,20H,4,6,8,11H2,1-3H3
InChIKeyABWHMWOYXPCKNZ-UHFFFAOYSA-N
XLogP5.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.19
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]propan-1-amine
CID 107742500
N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688657
(3-bromo-4-cyclohex-2-en-1-yloxy-5-methoxyphenyl)methanol
CID 114620145
N-[(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methyl]propan-2-amine
CID 114619873
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156933
N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine
CID 79883669
N-[(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methyl]propan-1-amine
CID 114619872
N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107743616
4-[2,6-dibromo-4-[(tert-butylamino)methyl]phenoxy]butan-1-ol
CID 107743612
N-[[3-bromo-4-(cyclopropylmethoxy)-5-ethoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062834
N-[(2-bromo-5-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
CID 114619885
N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 107743553

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine (CID 107743748) is N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(Br)c(OC2C=CCCC2)c(Br)c1.
What is the InChIKey of N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is ABWHMWOYXPCKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Br2NO/c1-17(2,3)20-11-12-9-14(18)16(15(19)10-12)21-13-7-5-4-6-8-13/h5,7,9-10,13,20H,4,6,8,11H2,1-3H3.
What are the key properties of N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 417.19 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107743748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).