N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine

C17H26BrNO2 — CID 103523411

IUPACN-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Br)c1OC)C1CCC(C)C1
InChIInChI=1S/C17H26BrNO2/c1-5-19-16(12-7-6-11(2)10-12)13-8-9-14(20-3)15(18)17(13)21-4/h8-9,11-12,16,19H,5-7,10H2,1-4H3
InChIKeyVDORHYSZWWLCGU-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.55
Rot. Bonds6

About N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine

N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine (PubChem CID 103523411) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
PubChem CID103523411
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Br)c1OC)C1CCC(C)C1
InChIInChI=1S/C17H26BrNO2/c1-5-19-16(12-7-6-11(2)10-12)13-8-9-14(20-3)15(18)17(13)21-4/h8-9,11-12,16,19H,5-7,10H2,1-4H3
InChIKeyVDORHYSZWWLCGU-UHFFFAOYSA-N
XLogP4.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095
N-[(3-bromo-2,4-dimethoxyphenyl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 103523466
N-[(2-methoxy-3,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 103433620
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
1-(3-bromo-2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547345
1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 103523448
1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 103523415
1-(3-bromo-2,4-dimethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 103523440
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 104988838
1-(3-bromo-2,4-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 103523550
N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine (CID 103523411) is N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine is CCNC(c1ccc(OC)c(Br)c1OC)C1CCC(C)C1.
What is the InChIKey of N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The InChIKey is VDORHYSZWWLCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-5-19-16(12-7-6-11(2)10-12)13-8-9-14(20-3)15(18)17(13)21-4/h8-9,11-12,16,19H,5-7,10H2,1-4H3.
What are the key properties of N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine has a molecular weight of 356.30 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 103523411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).