N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine

C17H28BrNO — CID 63473525

IUPACN-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNCC(OC(C)CC(C)C)c1ccccc1Br
InChIInChI=1S/C17H28BrNO/c1-5-10-19-12-17(20-14(4)11-13(2)3)15-8-6-7-9-16(15)18/h6-9,13-14,17,19H,5,10-12H2,1-4H3
InChIKeyADJYPORIVUWRMN-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.94
Rot. Bonds9

About N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine

N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine (PubChem CID 63473525) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
PubChem CID63473525
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC NameN-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNCC(OC(C)CC(C)C)c1ccccc1Br
InChIInChI=1S/C17H28BrNO/c1-5-10-19-12-17(20-14(4)11-13(2)3)15-8-6-7-9-16(15)18/h6-9,13-14,17,19H,5,10-12H2,1-4H3
InChIKeyADJYPORIVUWRMN-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.94
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-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102984669
N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 62108264
N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
CID 55036763
2-(2-bromophenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103490191
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
2-(2-bromophenyl)-3-methyl-N-propylhexan-1-amine
CID 114012929
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
2-(2-bromophenyl)-N-propylheptan-1-amine
CID 79449289
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481
N-[2-(3-bromophenyl)-2-butan-2-yloxyethyl]propan-1-amine
CID 55036561

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine (CID 63473525) is N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine is CCCNCC(OC(C)CC(C)C)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
The InChIKey is ADJYPORIVUWRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-5-10-19-12-17(20-14(4)11-13(2)3)15-8-6-7-9-16(15)18/h6-9,13-14,17,19H,5,10-12H2,1-4H3.
What are the key properties of N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 63473525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).