1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine

C15H14BrClFNO — CID 63877779

IUPAC1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
SMILESCC(N)C(Oc1ccc(F)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClFNO/c1-9(19)15(10-2-4-11(16)5-3-10)20-12-6-7-14(18)13(17)8-12/h2-9,15H,19H2,1H3
InChIKeyKXBSJTCPXDEWFL-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.71
Rot. Bonds4

About 1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine

1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine (PubChem CID 63877779) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
PubChem CID63877779
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
SMILESCC(N)C(Oc1ccc(F)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClFNO/c1-9(19)15(10-2-4-11(16)5-3-10)20-12-6-7-14(18)13(17)8-12/h2-9,15H,19H2,1H3
InChIKeyKXBSJTCPXDEWFL-UHFFFAOYSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-(4-chloro-3-fluorophenoxy)propan-2-amine
CID 82716945
1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
CID 63880196
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655
1-(4-bromophenyl)-1-(2,4,5-trichlorophenoxy)propan-2-amine
CID 63456970
1-(3-bromophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 55014732
4-[(1R,2S)-2-amino-1-(4-bromophenyl)propoxy]benzoic acid
CID 126713985
1-(4-chloro-3-fluorophenoxy)-1-thiophen-3-ylpropan-2-amine
CID 82716776
(1S)-1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]ethanamine
CID 81354920
1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
CID 114671825
1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 82716782
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 83232003
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine (CID 63877779) is 1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine is CC(N)C(Oc1ccc(F)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine?
The InChIKey is KXBSJTCPXDEWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-9(19)15(10-2-4-11(16)5-3-10)20-12-6-7-14(18)13(17)8-12/h2-9,15H,19H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine?
1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine has a molecular weight of 358.64 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine is sourced from PubChem (CID 63877779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).