N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine

C18H30BrNO — CID 63474821

IUPACN-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)CCCOC(CNC(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C18H30BrNO/c1-14(2)8-7-11-21-17(13-20-18(3,4)5)15-9-6-10-16(19)12-15/h6,9-10,12,14,17,20H,7-8,11,13H2,1-5H3
InChIKeyLSPWMUHAJHTKSI-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.33
Rot. Bonds8

About N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine

N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 63474821) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine
PubChem CID63474821
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC NameN-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)CCCOC(CNC(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C18H30BrNO/c1-14(2)8-7-11-21-17(13-20-18(3,4)5)15-9-6-10-16(19)12-15/h6,9-10,12,14,17,20H,7-8,11,13H2,1-5H3
InChIKeyLSPWMUHAJHTKSI-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
CID 82962979
2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63473544
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
2-(3-bromophenyl)-2-butoxy-N-methylethanamine
CID 62107473
1-bromo-3-[2-iodo-1-(3-methylbutoxy)ethyl]benzene
CID 114772930
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405191
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905
N-[2-(3-bromophenyl)-2-hexoxyethyl]propan-1-amine
CID 63475192
N-[2-(4-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62107369

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine (CID 63474821) is N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine is CC(C)CCCOC(CNC(C)(C)C)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is LSPWMUHAJHTKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-14(2)8-7-11-21-17(13-20-18(3,4)5)15-9-6-10-16(19)12-15/h6,9-10,12,14,17,20H,7-8,11,13H2,1-5H3.
What are the key properties of N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 356.35 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63474821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).