5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine

C16H26BrNO — CID 104662920

IUPAC5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
SMILESCCCNCCCCCc1ccc(OCC)c(Br)c1
InChIInChI=1S/C16H26BrNO/c1-3-11-18-12-7-5-6-8-14-9-10-16(19-4-2)15(17)13-14/h9-10,13,18H,3-8,11-12H2,1-2H3
InChIKeyKCWQMPBECOTLSE-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.56
Rot. Bonds10

About 5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine

5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine (PubChem CID 104662920) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
PubChem CID104662920
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
SMILESCCCNCCCCCc1ccc(OCC)c(Br)c1
InChIInChI=1S/C16H26BrNO/c1-3-11-18-12-7-5-6-8-14-9-10-16(19-4-2)15(17)13-14/h9-10,13,18H,3-8,11-12H2,1-2H3
InChIKeyKCWQMPBECOTLSE-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.56
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

5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
5-(3-bromo-4-propoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662947
5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine
CID 104663012
6-(4-ethoxyphenyl)-N-propylhexan-1-amine
CID 65308945
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
4-(2-bromo-4-fluorophenoxy)-N-propylbutan-1-amine
CID 62450934
N-[(3-bromo-4-ethoxyphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 17215323
N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65303163
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine?
The IUPAC name of 5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine (CID 104662920) is 5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine is CCCNCCCCCc1ccc(OCC)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine?
The InChIKey is KCWQMPBECOTLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-3-11-18-12-7-5-6-8-14-9-10-16(19-4-2)15(17)13-14/h9-10,13,18H,3-8,11-12H2,1-2H3.
What are the key properties of 5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine?
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 104662920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).