N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine

C15H24BrNO2 — CID 106450010

IUPACN-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Br)c1OCCOCCC
InChIInChI=1S/C15H24BrNO2/c1-3-8-17-12-13-6-5-7-14(16)15(13)19-11-10-18-9-4-2/h5-7,17H,3-4,8-12H2,1-2H3
InChIKeyHCSCBNBEAHNKGZ-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.75
Rot. Bonds10

About N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine

N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine (PubChem CID 106450010) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
PubChem CID106450010
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC NameN-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Br)c1OCCOCCC
InChIInChI=1S/C15H24BrNO2/c1-3-8-17-12-13-6-5-7-14(16)15(13)19-11-10-18-9-4-2/h5-7,17H,3-4,8-12H2,1-2H3
InChIKeyHCSCBNBEAHNKGZ-UHFFFAOYSA-N
XLogP3.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.75
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-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 61390702
N-[[3-bromo-2-(2-ethoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 55219306
N-[[3-bromo-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 61390561
3-[2-bromo-6-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 62325837
N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 61390601
methyl 4-[2-bromo-6-(propylaminomethyl)phenoxy]butanoate
CID 61390551
N-[(3-bromo-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 61390672
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 55193645
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 62699146
N-[(2-bromophenyl)methyl]-2-propoxyethanamine
CID 106451772
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 61390654

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine (CID 106450010) is N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cccc(Br)c1OCCOCCC.
What is the InChIKey of N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is HCSCBNBEAHNKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-3-8-17-12-13-6-5-7-14(16)15(13)19-11-10-18-9-4-2/h5-7,17H,3-4,8-12H2,1-2H3.
What are the key properties of N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine?
N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106450010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).