N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine

C15H24BrNO2 — CID 55131505

IUPACN-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCOCC)c(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-4-8-17-12(3)13-6-7-15(14(16)11-13)19-10-9-18-5-2/h6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyOSNWYQUILQITPN-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.92
Rot. Bonds9

About N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine

N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 55131505) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
PubChem CID55131505
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC NameN-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCOCC)c(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-4-8-17-12(3)13-6-7-15(14(16)11-13)19-10-9-18-5-2/h6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyOSNWYQUILQITPN-UHFFFAOYSA-N
XLogP3.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.92
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

(1R)-1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 78937706
1-[3-bromo-4-(2-propoxyethoxy)phenyl]-N-methylethanamine
CID 55233854
1-(3-bromo-4-octoxyphenyl)-N-ethylethanamine
CID 63533481
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
N-[1-[3-bromo-4-(4-chlorophenoxy)phenyl]ethyl]propan-1-amine
CID 63533629
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202199
N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
CID 81341285
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305
1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine
CID 62911909
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine (CID 55131505) is N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCCOCC)c(Br)c1.
What is the InChIKey of N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is OSNWYQUILQITPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-4-8-17-12(3)13-6-7-15(14(16)11-13)19-10-9-18-5-2/h6-7,11-12,17H,4-5,8-10H2,1-3H3.
What are the key properties of N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 55131505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).