(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine

C17H20BrNO2 — CID 63367661

IUPAC(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrNO2/c1-2-17(19)13-3-7-15(8-4-13)20-11-12-21-16-9-5-14(18)6-10-16/h3-10,17H,2,11-12,19H2,1H3/t17-/m1/s1
InChIKeyIFKONEJKXADHIT-QGZVFWFLSA-N
MW350.26 g/mol
LogP4.32
Rot. Bonds7

About (1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine

(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine (PubChem CID 63367661) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is (1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
PubChem CID63367661
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrNO2/c1-2-17(19)13-3-7-15(8-4-13)20-11-12-21-16-9-5-14(18)6-10-16/h3-10,17H,2,11-12,19H2,1H3/t17-/m1/s1
InChIKeyIFKONEJKXADHIT-QGZVFWFLSA-N
XLogP4.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.32
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

1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
4-[4-[(1S)-1-aminopropyl]phenoxy]butanenitrile
CID 63367725

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine (CID 63367661) is (1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine is CC[C@@H](N)c1ccc(OCCOc2ccc(Br)cc2)cc1.
What is the InChIKey of (1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine?
The InChIKey is IFKONEJKXADHIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-2-17(19)13-3-7-15(8-4-13)20-11-12-21-16-9-5-14(18)6-10-16/h3-10,17H,2,11-12,19H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine?
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine has a molecular weight of 350.26 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine is sourced from PubChem (CID 63367661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).