N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C15H25BrN2O — CID 62593126

IUPACN'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C15H25BrN2O/c1-13(2)12-17-8-9-18(3)10-11-19-15-6-4-14(16)5-7-15/h4-7,13,17H,8-12H2,1-3H3
InChIKeyJNBVRTSPPLWOIG-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.01
Rot. Bonds9

About N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62593126) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62593126
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC NameN'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C15H25BrN2O/c1-13(2)12-17-8-9-18(3)10-11-19-15-6-4-14(16)5-7-15/h4-7,13,17H,8-12H2,1-3H3
InChIKeyJNBVRTSPPLWOIG-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
CID 63386918
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
2-[2-(4-bromophenoxy)ethyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522937
N'-[(5-bromo-2-pyridinyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409255
3-[2-(4-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 94231255
2-(4-bromophenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 51110679
N-[2-(4-bromophenoxy)ethyl]-N-methylformamide
CID 64992570
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 62593126) is N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCN(C)CCOc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is JNBVRTSPPLWOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-13(2)12-17-8-9-18(3)10-11-19-15-6-4-14(16)5-7-15/h4-7,13,17H,8-12H2,1-3H3.
What are the key properties of N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 329.28 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62593126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).